Basic information
- Standard SMILES
OCCCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
GGKCSXZFEUHVBM-UHFFFAOYSA-N- Molecular formula
- C12H13F6NO
- Average molar mass
- 301.23 g/mol
Names & identifiers
- Preferred name
- 3-(3,5-Bis(trifluoromethyl)benzylamino)propanol
- IUPAC
- 3-[[3,5-bis(trifluoromethyl)phenyl]methylamino]propan-1-ol
Names & synonyms
3-(3,5-bis(trifluoromethyl)benzylamino)propanolSCHEMBL4256377AKOS0202344263-[3,5-bis(trifluoromethyl)phenylmethylamino]-1-propanolN-[3,5-bis(trifluoromethyl)benzyl]-N-(3-hydroxypropyl)amine
Database identifiers
- PubChem CID
- 11638019
- Nikkaji
- J2.551.589G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 269
Related reactions
12 records
Compound notes
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