Basic information
- Standard SMILES
CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1ccc(F)cc1- InChIKey
FLAQYRSYSGUXIZ-UHFFFAOYSA-N- Molecular formula
- C21H21F4NO
- Average molar mass
- 379.4 g/mol
Names & identifiers
- Preferred name
- 2-(1H-indol-2-ylmethyl)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methylpentan-2-ol
- IUPAC
- 1,1,1-trifluoro-4-(4-fluorophenyl)-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol
Names & synonyms
2-(1H-indol-2-ylmethyl)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methylpentan-2-olSCHEMBL291546
Database identifiers
- PubChem CID
- 10126415
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 501
Related reactions
5 records
Compound notes
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