Basic information
- CAS
1213863-26-3- Standard SMILES
CCc1ccccc1[C@H](N)C(F)(F)F- InChIKey
BHNITXWLSREPOR-VIFPVBQESA-N- Molecular formula
- C10H12F3N
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.09218387
Names & identifiers
- Preferred name
- (S)-1-(2-Ethyl-phenyl)-2,2,2-trifluoro-ethylamine
- IUPAC
- (1S)-1-(2-ethylphenyl)-2,2,2-trifluoroethanamine
- English name
- (S)-1-(2-ETHYL-PHENYL)-2,2,2-TRIFLUORO-ETHYLAMINE
- Molecular formula
- C10H12F3N
- Molecular weight
- 203.2041896
Names & synonyms
1213863-26-3(S)-1-(2-Ethylphenyl)-2,2,2-trifluoroethan-1-amine(S)-1-(2-ETHYL-PHENYL)-2,2,2-TRIFLUORO-ETHYLAMINE(1S)-1-(2-ethylphenyl)-2,2,2-trifluoroethan-1-amineBHNITXWLSREPOR-VIFPVBQESA-NAKOS015924751DB-310345(S)-1-(2-ethylphenyl)-2,2,2-trifluoroethanamine(1S)-1-(2-ethylphenyl)-2,2,2-trifluoroethanamineBenzenemethanamine, 2-ethyl-α-(trifluoromethyl)-, (αS)-
Database identifiers
- CAS
1213863-26-3- PubChem CID
- 56971877
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 230.3 · 230.3±40.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- pka
- 6.31 · 6.31±0.10(Predicted)
Chemistry & industry
Suppliers3 total
上海策嵘生物科技有限公司[email protected]
米诺化工有限公司0086-15313090952
北京蓝博中兴科技有限公司010-56330744 15210344275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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