(1S)-2-Fluoro-1,2,2-triphenylethan-1-amine
Basic information
- CAS
75198-01-5- Standard SMILES
N[C@@H](c1ccccc1)C(F)(c1ccccc1)c1ccccc1- InChIKey
LTLUOSRNAUTAKF-IBGZPJMESA-N- Molecular formula
- C20H18FN
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.14232774
Names & identifiers
- Preferred name
- (1S)-2-Fluoro-1,2,2-triphenylethan-1-amine
- IUPAC
- (1S)-2-fluoro-1,2,2-triphenylethanamine
- English name
- (S)-2-Fluoro-1,2,2-triphenylethylamine
- Molecular formula
- C20H18FN
- Molecular weight
- 291.36
Names & synonyms
75198-01-5(1S)-2-Fluoro-1,2,2-triphenylethan-1-amineDTXSID70703692(S)-2-Fluoro-1,2,2-triphenylethylamineBenzeneethanamine, β-fluoro-α,β-diphenyl-
Database identifiers
- CAS
75198-01-5- PubChem CID
- 53471597
- DTXSID
DTXSID70703692
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 400.57 · 400.570±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.135 · 1.135±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.332 · 7.332±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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