(3R)-3-Amino-2,2-difluoro-3-phenylpropanamide
Basic information
- CAS
762293-09-4- Standard SMILES
NC(=O)C(F)(F)[C@H](N)c1ccccc1- InChIKey
RXVLKRSFTWMZAF-SSDOTTSWSA-N- Molecular formula
- C9H10F2N2O
- Average molar mass
- 200.19 g/mol
- Monoisotopic mass
- 200.07611927
Names & identifiers
- Preferred name
- (3R)-3-Amino-2,2-difluoro-3-phenylpropanamide
- IUPAC
- (3R)-3-amino-2,2-difluoro-3-phenylpropanamide
- English name
- Benzenepropanamide, -alpha--amino--ba-,-ba--difluoro-, (-alpha-R)- (9CI)
- Molecular formula
- C9H10F2N2O
- Molecular weight
- 200.19
Names & synonyms
(3R)-3-AMINO-2,2-DIFLUORO-3-PHENYLPROPANAMIDE762293-09-4DTXSID30703714Benzenepropanamide, -alpha--amino--bBenzenepropanamide, α-amino-β,β-difluoro-, (αR)-Benzenepropanamide,-alpha--amino--bta-,-bta--difluoro-,(-alpha-R)-(9CI)Benzenepropanamide, -alpha--amino--ba-,-ba--difluoro-, (-alpha-R)- (9CI)
Database identifiers
- CAS
762293-09-4- PubChem CID
- 53471683
- DTXSID
DTXSID30703714
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 77 · 77-78 °C(Solvent: Chloroform; Hexane)
- Boiling point
- 389.4 · 389.400±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.158 · 15.158±0.50(predicted)
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Compound notes
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