Basic information
- Standard SMILES
CC(c1ccc(Cl)cc1Cl)C(O)(c1c[nH]c2ccc(F)cc12)C(F)(F)F- InChIKey
VDSQTSOWOWMKSC-UHFFFAOYSA-N- Molecular formula
- C18H13Cl2F4NO
- Average molar mass
- 406.2 g/mol
- Monoisotopic mass
- 405.0310321
Names & identifiers
- Preferred name
- 3-(2,4-Dichloro-phenyl)-1,1,1-trifluoro-2-(5-fluoro-1H-indol-3-yl)-butan-2-ol
- IUPAC
- 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(5-fluoro-1H-indol-3-yl)butan-2-ol
Names & synonyms
3-(2,4-Dichloro-phenyl)-1,1,1-trifluoro-2-(5-fluoro-1H-indol-3-yl)-butan-2-olSCHEMBL837963
Database identifiers
- PubChem CID
- 57421303
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 508
Related reactions
2 records
Compound notes
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