(S)-2,2,2-trifluoro-1-(3-fluorophenyl)ethanamine
Basic information
- CAS
1187931-53-8- Standard SMILES
N[C@@H](c1cccc(F)c1)C(F)(F)F- InChIKey
AQLUZXCGYNIEGH-ZETCQYMHSA-N- Molecular formula
- C8H7F4N
- Average molar mass
- 193.14 g/mol
- Monoisotopic mass
- 193.05146188
Names & identifiers
- Preferred name
- (S)-2,2,2-trifluoro-1-(3-fluorophenyl)ethanamine
- IUPAC
- (1S)-2,2,2-trifluoro-1-(3-fluorophenyl)ethanamine
- English name
- (S)-2,2,2-trifluoro-1-(3-fluorophenyl)ethanaMine
- Molecular formula
- C8H7F4N
- Molecular weight
- 193.14
Names & synonyms
1187931-53-8(S)-2,2,2-trifluoro-1-(3-fluorophenyl)ethanamine(S)-2,2,2-trifluoro-1-(3-fluorophenyl)ethan-1-amine(1S)-2,2,2-TRIFLUORO-1-(3-FLUOROPHENYL)ETHANAMINEMFCD07374552SCHEMBL18589005(1S)-2,2,2-trifluoro-1-(3-fluorophenyl)ethan-1-amineAQLUZXCGYNIEGH-ZETCQYMHSA-NAKOS006284599AKOS015924813FD10499DB-258175
Show more names
Benzenemethanamine, 3-fluoro-α-(trifluoromethyl)-, (αS)-(alphaS)-3-Fluoro-alpha-(trifluoromethyl)benzenemethanamine
CS-0005300F600273
Database identifiers
- CAS
1187931-53-8- PubChem CID
- 37859596
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
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Compound notes
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