Basic information
- Standard SMILES
FC(F)(F)c1cc(C(F)(F)F)cc(C2(C(F)(F)F)CCNC2)c1- InChIKey
KHJXOWRGFINPFG-UHFFFAOYSA-N- Molecular formula
- C13H10F9N
- Average molar mass
- 351.21 g/mol
Names & identifiers
- Preferred name
- 3-[3,5-Bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine
- IUPAC
- 3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine
Names & synonyms
3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidineSCHEMBL1187033-[3,5-bis(trifluoromethyl)-phenyl]-3-(tri-fluoromethyl)pyrrolidine3-[3,5-bis-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine
Database identifiers
- PubChem CID
- 53262186
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
Related reactions
8 records
Compound notes
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