Fluorinated Building Blocks
1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one
Cas#: 887144-94-7
Compound CID:
24850981
Formula:
C8 H4 F3 IO2
Molecular Weight: 316.02
IUPAC Name: 1-(trifluoromethyl)-1λ3,2-benziodoxol-3-one
SMILES: C1=CC=C2C(=C1)C(=O)OI2C(F)(F)F
InChIKey: XHEOXSQMBWJOKP-UHFFFAOYSA-N
InChI: InChI=1S/C8H4F3IO2/c9-8(10,11)12-6-4-2-1-3-5(6)7(13)14-12/h1-4H
Synonyms: DHY074A7WG | Togni's reagents carbonyl compound [MI] | FT-0603356 | FT-0685225 | EN300-136055 | MFCD18800706 | 1-Trif...
1-Trifluoromethylcyclopropane-1-carboxylicAcid
Cas#: 277756-46-4
Compound CID:
2778306
Formula:
C5 H5 F3 O2
Molecular Weight: 154.09
IUPAC Name: 1-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILES: C1CC1(C(=O)O)C(F)(F)F
InChIKey: SKCBKBCACWDALV-UHFFFAOYSA-N
InChI: InChI=1S/C5H5F3O2/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H,9,10)
Synonyms: FT-0608323 | 1-(Trifluoromethyl)cyclopropane-1-carboxylic acid | CYCLOPROPANECARBOXYLIC ACID, 1-(TRIFLUOROMETHYL)- | ...
1-Trifluoromethyl-3,3-dimethyl-1,2-benziodoxole
Cas#: 887144-97-0
Compound CID:
16043572
Formula:
C10 H10 F3 IO
Molecular Weight: 330.09
IUPAC Name: 3,3-dimethyl-1-(trifluoromethyl)-1λ3,2-benziodoxole
SMILES: CC1(C2=CC=CC=C2I(O1)C(F)(F)F)C
InChIKey: HVAPLSNCVYXFDQ-UHFFFAOYSA-N
InChI: InChI=1S/C10H10F3IO/c1-9(2)7-5-3-4-6-8(7)14(15-9)10(11,12)13/h3-6H,1-2H3
Synonyms: Q27257820 | DTXSID60457819 | SCHEMBL9935361 | 1-trifluoromethyl-1,3-dihydro-3,3-dimethyl-1,2-benziodoxole | 3,3-Dimet...
Decylphosphonic Acid
Cas#: 6874-60-8
Compound CID:
81309
Formula:
C10 H23 O3 P
Molecular Weight: 222.26
IUPAC Name: decylphosphonic acid
SMILES: CCCCCCCCCCP(=O)(O)O
InChIKey: DZQISOJKASMITI-UHFFFAOYSA-N
InChI: InChI=1S/C10H23O3P/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H2,11,12,13)
Synonyms: T71228 | AKOS015839806 | 1-DECYLPHOSPHONIC ACID | FT-0607686 | n-Decanephosphonic acid | P-Decylphosphonic acid | P-d...
5-Bromo-1,2,3-trifluorobenzene
Cas#: 138526-69-9
Compound CID:
611409
Formula:
BrC6 H2 F3
Molecular Weight: 210.98
IUPAC Name: 5-bromo-1,2,3-trifluorobenzene
SMILES: C1=C(C=C(C(=C1F)F)F)Br
InChIKey: HKJCELUUIFFSIN-UHFFFAOYSA-N
InChI: InChI=1S/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
Synonyms: 1-Bromo-3,4,5-trifluorobenzene | 1,2,3-trifluoro-5-bromobenzene | 3,4,5-Trifluoro Bromo Benzene | 5-Bromo-1,2,3-trifl...
5-Bromo-1,3-difluoro-2-iodobenzene
Cas#: 160976-02-3
Compound CID:
2782702
Formula:
C6 H2 BrF2 I
Molecular Weight: 318.89
IUPAC Name: 5-bromo-1,3-difluoro-2-iodobenzene
SMILES: C1=C(C=C(C(=C1F)I)F)Br
InChIKey: NLWAKVGODLJALJ-UHFFFAOYSA-N
InChI: InChI=1S/C6H2BrF2I/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
Synonyms: A810211 | B3058 | 4-bromo-2,6-difluoro-1-iodobenzene | AKOS005254968 | CS-W012011 | FT-0746828 | Benzene, 5-bromo-1,3...
4,4,4-Trifluoro-1-phenyl-1,3-butanedione
Cas#: 326-06-7
Compound CID:
67589
Formula:
C6 H5 COCH2 COCF3
Molecular Weight: 216.16
IUPAC Name: 4,4,4-trifluoro-1-phenylbutane-1,3-dione
SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F
InChIKey: VVXLFFIFNVKFBD-UHFFFAOYSA-N
InChI: InChI=1S/C10H7F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5H,6H2
Synonyms: 1, 4,4,4-trifluoro-1-phenyl- | 1,1,1-Trifluoro-4-phenyl-2,4-butanedione | 4,4,4-Trifluoro-1-phenyl-butane-1,3-dione |...
4,5-Difluoro-2-nitrobenzoic acid
Cas#: 20372-63-8
Compound CID:
4219630
Formula:
C7 F2 H3 NO4
Molecular Weight: 203.1
IUPAC Name: 4,5-difluoro-2-nitrobenzoic acid
SMILES: C1=C(C(=CC(=C1F)F)[N+](=O)[O-])C(=O)O
InChIKey: HGGRAOYTQNFGGN-UHFFFAOYSA-N
InChI: InChI=1S/C7H3F2NO4/c8-4-1-3(7(11)12)6(10(13)14)2-5(4)9/h1-2H,(H,11,12)
Synonyms: Z905162660 | D3555 | 3,4-difluoro-6-nitrobenzoic acid | DTXSID80400963 | HGGRAOYTQNFGGN-UHFFFAOYSA-N | FT-0601393 | 2...
4,5-Difluoro-2-methylbenzoic acid
Cas#: 183237-86-7
Compound CID:
17760483
Formula:
C8 H6 F2 O2
Molecular Weight: 172.13
IUPAC Name: 4,5-difluoro-2-methylbenzoic acid
SMILES: CC1=CC(=C(C=C1C(=O)O)F)F
InChIKey: LDMHYYGJZWDBQL-UHFFFAOYSA-N
InChI: InChI=1S/C8H6F2O2/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3H,1H3,(H,11,12)
Synonyms: 4,5-Difluoro-2-methylbenzoic acid|183237-86-7|4,5-Difluoro-2-methylbenzoicacid|Benzoic acid, 4,5-difluoro-2-methyl-|M...
4,4'-Difluorobenzhydryl Chloride
Cas#: 27064-94-4
Compound CID:
2723773
Formula:
C13 H9 ClF2
Molecular Weight: 238.66
IUPAC Name: 1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene
SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)F)Cl)F
InChIKey: FHPNLCLHMNPLEW-UHFFFAOYSA-N
InChI: InChI=1S/C13H9ClF2/c14-13(9-1-5-11(15)6-2-9)10-3-7-12(16)8-4-10/h1-8,13H
Synonyms: SCHEMBL424538 | bis-(4-fluorophenyl)methyl chloride | bis(4-fluorophenyl)methyl chloride | chlorobis-(4-fluorophenyl)...
3,4-Difluorotoluene
Cas#: 2927-34-6
Compound CID:
2733400
Formula:
C7 H6 F2
Molecular Weight: 128.12
IUPAC Name: 1,2-difluoro-4-methylbenzene
SMILES: CC1=CC(=C(C=C1)F)F
InChIKey: FZMPLKVGINKUJZ-UHFFFAOYSA-N
InChI: InChI=1S/C7H6F2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
Synonyms: J-511159 | Q63393021 | 3,4 difluorotoluene | FZMPLKVGINKUJZ-UHFFFAOYSA-N | A5479 | AKOS005063638 | DTXSID30369894 | 3...
3-Fluoro-4-hydroxybenzaldehyde
Cas#: 405-05-0
Compound CID:
587250
Formula:
C7 H5 FO2
Molecular Weight: 140.11
IUPAC Name: 3-fluoro-4-hydroxybenzaldehyde
SMILES: C1=CC(=C(C=C1C=O)F)O
InChIKey: QSBHJTCAPWOIIE-UHFFFAOYSA-N
InChI: InChI=1S/C7H5FO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H
Synonyms: CL8326 | 3-Fluoro-4-hydroxybenzaldehyde, AldrichCPR | 3-fluoro-4-hydroxy benzaldehyde | PS-9055 | EN300-49278 | AM200...