Fluorinated Building Blocks
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1,3-Bis[4-(trifluoromethyl)phenyl]ureaCas#: 1960-88-9 Compound CID: 472928Formula: C15H10F6N2O Molecular Weight: 348.25IUPAC Name: 1,3-bis[4-(trifluoromethyl)phenyl]ureaSMILES: C1=CC(=CC=C1C(F)(F)F)NC(=O)NC2=CC=C(C=C2)C(F)(F)FInChIKey: PEXQIAHZLFTVJU-UHFFFAOYSA-NInChI: InChI=1S/C15H10F6N2O/c16-14(17,18)9-1-5-11(6-2-9)22-13(24)23-12-7-3-10(4-8-12)15(19,20)21/h1-8H,(H2,22,23,24)
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Tetrafluoro-1,4-benzoquinoneCas#: 527-21-9 Compound CID: 68239Formula: C6F4O2 Molecular Weight: 180.06IUPAC Name: 2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dioneSMILES: C1(=C(C(=O)C(=C(C1=O)F)F)F)FInChIKey: JKLYZOGJWVAIQS-UHFFFAOYSA-NInChI: InChI=1S/C6F4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11Synonyms: 2,3,5,6-Tetrafluoro-p-benzoquinone | SCHEMBL465016 | 2,3,5,6-Tetrafluoro-1,4-benzoquinone | 2,3,5,6-Tetrafluorobenzo-...
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5-FluoroisatinCas#: 443-69-6 Compound CID: 236566Formula: C8H4FNO2 Molecular Weight: 165.12IUPAC Name: 5-fluoro-1H-indole-2,3-dioneSMILES: C1=CC2=C(C=C1F)C(=O)C(=O)N2InChIKey: GKODDAXOSGGARJ-UHFFFAOYSA-NInChI: InChI=1S/C8H4FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)Synonyms: BH-0436 | CS-W007549 | F0589 | AB00694550-03 | BDBM22812 | BCP22598 | EN300-11877 | F1943-0001 | InChI=1/C8H4FNO2/c9-...
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7-Fluoro-6-nitroquinazolin-4(1H)-oneCas#: 162012-69-3 Compound CID: 135398507Formula: C8H4FN3O3 Molecular Weight: 209.14IUPAC Name: 7-fluoro-6-nitro-3H-quinazolin-4-oneSMILES: C1=C2C(=CC(=C1[N+](=O)[O-])F)N=CNC2=OInChIKey: VTUAEMSZEIGQRM-UHFFFAOYSA-NInChI: InChI=1S/C8H4FN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13)Synonyms: 7-FLUORO-6-NITRO-3H-QUINAZOLIN-4-ONE | CS-B0788 | InChI=1/C8H4FN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H...
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Benzyl (3-Fluoro-4-morpholinophenyl)carbamateCas#: 168828-81-7 Compound CID: 5306150Formula: C18H19FN2O3 Molecular Weight: 330.36IUPAC Name: benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamateSMILES: C1COCCN1C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)FInChIKey: XKGUZGHMWUIYDR-UHFFFAOYSA-NInChI: InChI=1S/C18H19FN2O3/c19-16-12-15(6-7-17(16)21-8-10-23-11-9-21)20-18(22)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22)Synonyms: AC-22727 | N-Carbobenzoxy-3-fluoro-4-morpholinyl aniline | SY019397 | benzyl 3-fluoro-4-(4-morpholinyl)phenyl)carbama...
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Benzoyl(phenyliodonio)(trifluoromethanesulfonyl)methanideCas#: 1443036-49-4 Compound CID: 71813730Formula: C15H10F3IO3S Molecular Weight: 454.2IUPAC Name: 1-phenyl-2-(phenyl-λ3-iodanylidene)-2-(trifluoromethylsulfonyl)ethanoneSMILES: C1=CC=C(C=C1)C(=O)C(=IC2=CC=CC=C2)S(=O)(=O)C(F)(F)FInChIKey: BGLWFUSLNKHJEU-UHFFFAOYSA-NInChI: InChI=1S/C15H10F3IO3S/c16-15(17,18)23(21,22)14(19-12-9-5-2-6-10-12)13(20)11-7-3-1-4-8-11/h1-10HSynonyms: 1-phenyl-2-(phenyl-lambda3-iodanylidene)-2-(trifluoromethylsulfonyl)ethanone | 1443036-49-4 | BGLWFUSLNKHJEU-UHFFFAOY...
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6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole HydrochlorideCas#: 84163-13-3 Compound CID: 11334359Formula: C12H13FN2O·HCl Molecular Weight: 256.71IUPAC Name: 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochlorideSMILES: C1CNCCC1C2=NOC3=C2C=CC(=C3)F.ClInChIKey: CWPSRUREOSBKBQ-UHFFFAOYSA-NInChI: InChI=1S/C12H13FN2O.ClH/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8;/h1-2,7-8,14H,3-6H2;1HSynonyms: 11T-0035 | 6-fluoro-3-(4-piperidinyl)-1,2benzisoxazole hydrochloride | 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole h...
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Pentafluoroanilinium TrifluoromethanesulfonateCas#: 912823-79-1 Compound CID: 312816341Formula: C7H3F8NO3S Molecular Weight: 333.15
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Sodium BromodifluoroacetateCas#: 84349-27-9 Compound CID: 2782418Formula: C2BrF2NaO2 Molecular Weight: 196.91IUPAC Name: sodium;2-bromo-2,2-difluoroacetateSMILES: C(=O)(C(F)(F)Br)[O-].[Na+]InChIKey: CAQKQIYWKXZJGD-UHFFFAOYSA-MInChI: InChI=1S/C2HBrF2O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1Synonyms: Sodium bromodifluoroacetate | AKOS006229014 | Bromodifluoroacetic acid sodium | C2BrF2NaO2 | Sodium bromo(difluoro)ac...
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Rabeprazole sodiumCas#: 117976-90-6 Compound CID: 14720269Formula: C18H20N3O3S · Na Molecular Weight: 381.42IUPAC Name: sodium;2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-ideSMILES: CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3[N-]2)OCCCOC.[Na+]InChIKey: KRCQSTCYZUOBHN-UHFFFAOYSA-NInChI: InChI=1S/C18H20N3O3S.Na/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3;/q-1;+1Synonyms: Rabeprazole SodiumDR | sodium;2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-ide | AS-13...
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7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic AcidCas#: 86393-33-1 Compound CID: 483180Formula: C13H9ClFO3N Molecular Weight: 281.67IUPAC Name: 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acidSMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)Cl)F)C(=O)OInChIKey: ISPVACVJFUIDPD-UHFFFAOYSA-NInChI: InChI=1S/C13H9ClFNO3/c14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6/h3-6H,1-2H2,(H,18,19)Synonyms: AM20061800 | BCP14691 | FLUOROQUINOLONIC ACID [USP IMPURITY] | MFCD00792458 | 7-CHLORO-1-CYCLOPROPYL-6-FLUORO-3-CARBO...
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Dansyl FluorideCas#: 34523-28-9 Compound CID: 93175Formula: C12H12FNO2S Molecular Weight: 253.293IUPAC Name: 5-(dimethylamino)naphthalene-1-sulfonyl fluorideSMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)FInChIKey: JMHHECQPPFEVMU-UHFFFAOYSA-NInChI: InChI=1S/C12H12FNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3Synonyms: 5-Dimethylaminonaphthalene-1-sulfonyl Fluoride | DTXSID9067853 | T70802 | 5-Dimethylamino-1-naphthalenesulphohyl fluo...
