(1R)-2,2,2-Trifluoro-1-naphthylethylamine
Basic information
- CAS
1213437-22-9- Standard SMILES
N[C@H](c1cccc2ccccc12)C(F)(F)F- InChIKey
OOXZTNKNQVNTBV-LLVKDONJSA-N- Molecular formula
- C12H10F3N
- Average molar mass
- 225.21 g/mol
- Monoisotopic mass
- 225.07653381
Names & identifiers
- Preferred name
- (1R)-2,2,2-Trifluoro-1-naphthylethylamine
- IUPAC
- (1R)-2,2,2-trifluoro-1-naphthalen-1-ylethanamine
- English name
- (1R)-2,2,2-TRIFLUORO-1-NAPHTHYLETHYLAMINE
- Molecular formula
- C12H10F3N
- Molecular weight
- 225.21
Names & synonyms
(1R)-2,2,2-TRIFLUORO-1-NAPHTHYLETHYLAMINE1213437-22-9(R)-2,2,2-TRIFLUORO-1-(NAPHTHALEN-1-YL)ETHAN-1-AMINEOOXZTNKNQVNTBV-LLVKDONJSA-NMFCD07374741AKOS015925381Y11517(1R)-2,2,2-trifluoro-1-(1-naphthyl)ethanamine(R)-2,2,2-TRIFLUORO-1-NAPHTHALEN-1-YL-ETHYLAMINE(R)-2,2,2-trifluoro-1-(naphthalen-4-yl)ethanamine(1R)-2,2,2-trifluoro-1-(naphthalen-1-yl)ethan-1-amine1-Naphthalenemethanamine, α-(trifluoromethyl)-, (αR)-
Database identifiers
- CAS
1213437-22-9- PubChem CID
- 56971896
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 311.9 · 311.9±42.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- pka
- 4.28 · 4.28±0.30(Predicted)
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