Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cl.OCC1CC2CNCC2C(O)(c2ccccc2F)C1- InChIKey
OHLSWAWTBSBJTI-UHFFFAOYSA-N- Molecular formula
- C15H21ClFNO2
- Average molar mass
- 301.78 g/mol
Names & identifiers
- Preferred name
- (3aRS,4RS,6SR,7aSR)-6-hydroxymethyl-4-(2-fluorophenyl)perhydroisoindol-4-ol hydrochloride
- IUPAC
- 4-(2-fluorophenyl)-6-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol;hydrochloride
Names & synonyms
SCHEMBL8682384OHLSWAWTBSBJTI-UHFFFAOYSA-N(3aRS,4RS,6SR,7aSR)-6-hydroxymethyl-4-(2-fluorophenyl)perhydroisoindol-4-ol hydrochloride
Database identifiers
- PubChem CID
- 67660643
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Related reactions
2 records
Compound notes
Loading…