Basic information
- Standard SMILES
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(CCO)(c2ccc(Cl)c(Cl)c2)C1- InChIKey
QCMCTLMFRNSKQP-UHFFFAOYSA-N- Molecular formula
- C21H17Cl2F6NO2
- Average molar mass
- 500.3 g/mol
Names & identifiers
- Preferred name
- 2-[3-(3,4-Dichloro-phenyl)-1-(3,5-bis-(trifluoromethyl)-benzoyl)-pyrrolidin-3-yl]-ethanol
- IUPAC
- [3,5-bis(trifluoromethyl)phenyl]-[3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
Names & synonyms
2-[3-(3,4-dichloro-phenyl)-1-(3,5-bis-(trifluoromethyl)-benzoyl)-pyrrolidin-3-yl]-ethanolSCHEMBL7955940
Database identifiers
- PubChem CID
- 18333361
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 654
Related reactions
2 records
Compound notes
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