(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethylamine
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Basic information
- CAS
1213094-96-2- Standard SMILES
C[C@@H](N)c1ccc(OC(F)(F)F)c(F)c1- InChIKey
OQTYHJQUBPHRAL-RXMQYKEDSA-N- Molecular formula
- C9H9F4NO
- Average molar mass
- 223.17 g/mol
Names & identifiers
- Preferred name
- (1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethylamine
- IUPAC
- (1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
- English name
- (1R)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]ethylamine
- Molecular formula
- C9H9F4NO
- Molecular weight
- 223.1674728
Names & synonyms
1213094-96-2(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethylamine(R)-1-(3-fluoro-4-(trifluoromethoxy)phenyl)ethan-1-amine(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethan-1-amineDB-179426(R)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)ethanamine(R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethylamine(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamineBenzenemethanamine, 3-fluoro-α-methyl-4-(trifluoromethoxy)-, (αR)-
Database identifiers
- CAS
1213094-96-2
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 208.7 · 208.7±40.0 °C(Predicted)
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- pka
- 8.39 · 8.39±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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