Fluorinated Building Blocks

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  1. Riluzole, Sodium channel alpha subunit blocker
    Cas#: 1744-22-5        Compound CID:  5070
    Formula:  C8H5F3N2OS        Molecular Weight: 234.2
    IUPAC Name: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
    SMILES: C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N
    InChIKey: FTALBRSUTCGOEG-UHFFFAOYSA-N
    InChI: InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
    Synonyms: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine | 6-(trifluoromethoxy)benzo[d]thiazol-2-amine | Bio1_001394 | RILUZOLE ...
  2. 1-[2-(Trifluoromethyl)phenyl]imidazole, Channel blocker of TRPV2
    Cas#: 25371-96-4        Compound CID:  1359
    Formula:  C10H7F3N2        Molecular Weight: 212.18
    IUPAC Name: 1-[2-(trifluoromethyl)phenyl]imidazole
    SMILES: C1=CC=C(C(=C1)C(F)(F)F)N2C=CN=C2
    InChIKey: WZBWBNCQUTXYEL-UHFFFAOYSA-N
    InChI: InChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-2-4-9(8)15-6-5-14-7-15/h1-7H
    Synonyms: NCGC00016047-03 | 1-(2-trifluoromethylphenyl) imidazole | 1-(2-Trifluoromethylphenyl)imidazole | 2-(trifluoromethyl)p...
  3. 3-Amino-1,1,1-trifluoropropan-2-ol
      Grade & Purity: 
    • ≥96%
    Cas#: 431-38-9        Compound CID:  418965
    Formula:  C3H6F3NO        Molecular Weight: 129.08
    IUPAC Name: 3-amino-1,1,1-trifluoropropan-2-ol
    SMILES: C(C(C(F)(F)F)O)N
    InChIKey: RISHBQWFBUTROQ-UHFFFAOYSA-N
    InChI: InChI=1S/C3H6F3NO/c4-3(5,6)2(8)1-7/h2,8H,1,7H2
    Synonyms: F8880-4331 | FT-0650645 | A837384 | 3-AMINO-1,1,1-TRIFLUORO-2-PROPANOL | (R)-2-(((9H-fluoren-9-yl)methoxy)carbonylami...
  4. Belzutifan, Inhibitor of endothelial PAS domain protein 1
    Cas#: 1672668-24-4        Compound CID:  117947097
    Formula:  C17H12F3NO4S        Molecular Weight: 383.34
    IUPAC Name: 3-[[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]oxy]-5-fluorobenzonitrile
    SMILES: CS(=O)(=O)C1=C2C(C(C(C2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)F)F)O
    InChIKey: LOMMPXLFBTZENJ-ZACQAIPSSA-N
    InChI: InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1
    Synonyms: EX-A4441 | 7K28NB895L | PT 2977 [WHO-DD] | GTPL11251 | compound 2 (PMID: 31282155) | XRC66824 | 1672668-24-4 | SCHEMB...
  5. 3-[[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-3H-benzothiophen-5-yl]oxy]-5-fluoro-benzonitrile
      Grade & Purity: 
    • ≥97%
    Cas#: 1799948-06-3        Compound CID:  91810395
    Formula:  C16H8NO4F5S        Molecular Weight: 405.3
    IUPAC Name: 3-[[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-3H-1-benzothiophen-5-yl]oxy]-5-fluorobenzonitrile
    SMILES: C1=CC2=C(C(C(S2(=O)=O)(F)F)O)C(=C1OC3=CC(=CC(=C3)C#N)F)C(F)F
    InChIKey: HZDKYXAZAPXCKQ-CQSZACIVSA-N
    InChI: InChI=1S/C16H8F5NO4S/c17-8-3-7(6-22)4-9(5-8)26-10-1-2-11-13(12(10)15(18)19)14(23)16(20,21)27(11,24)25/h1-5,14-15,23H/t14-/m1/s1
  6. 3-[[4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-3H-benzothiophen-5-yl]oxy]-5-fluoro-benzonitrile
      Grade & Purity: 
    • ≥97%
    Cas#: 1799948-32-5        Compound CID:  118183707
    Formula:  C16H8NO4F5S        Molecular Weight: 405.3
    IUPAC Name: 3-[[4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-3H-1-benzothiophen-5-yl]oxy]-5-fluorobenzonitrile
    SMILES: C1=CC2=C(C(C(S2(=O)=O)(F)F)O)C(=C1OC3=CC(=CC(=C3)C#N)F)C(F)F
    InChIKey: HZDKYXAZAPXCKQ-UHFFFAOYSA-N
    InChI: InChI=1S/C16H8F5NO4S/c17-8-3-7(6-22)4-9(5-8)26-10-1-2-11-13(12(10)15(18)19)14(23)16(20,21)27(11,24)25/h1-5,14-15,23H
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