Basic information
- Standard SMILES
CC(C)CCC(O)c1cccc(-c2ccc(C(F)(F)F)cc2)n1- InChIKey
LJOGJCQKTIIJSB-UHFFFAOYSA-N- Molecular formula
- C18H20F3NO
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.14969875
Names & identifiers
- Preferred name
- 4-Methyl-1-{6-[4-(trifluoromethyl)phenyl]-2-pyridinyl}-1-pentanol
- IUPAC
- 4-methyl-1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-ol
Names & synonyms
4-Methyl-1-{6-[4-(trifluoromethyl)phenyl]-2-pyridinyl}-1-pentanolSCHEMBL4838843
Database identifiers
- PubChem CID
- 58629856
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 351
Related reactions
2 records
Compound notes
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