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Basic information
- Standard SMILES
COc1ccc(F)cc1C(C)(C)C[C@@](O)(CN)C(F)(F)F- InChIKey
IVHJWQWDVGGJRN-CYBMUJFWSA-N- Molecular formula
- C14H19F4NO2
- Average molar mass
- 309.3 g/mol
Names & identifiers
- Preferred name
- (2R)-2-(aminomethyl)-1,1,1-trifluoro-4-[5-fluoro-2-(methyloxy)phenyl]-4-methyl-2-pentanol
- IUPAC
- (2R)-2-(aminomethyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
Names & synonyms
(2R)-2-(aminomethyl)-1,1,1-trifluoro-4-[5-fluoro-2-(methyloxy)phenyl]-4-methyl-2-pentanolSCHEMBL303853
Database identifiers
- PubChem CID
- 59010010
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Related reactions
3 records
Compound notes
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