Basic information
- Standard SMILES
O[C@H]1CCN(Cc2ccc(F)cc2)C1- InChIKey
JLCQPMJBQFEEMH-NSHDSACASA-N- Molecular formula
- C11H14FNO
- Average molar mass
- 195.23 g/mol
Names & identifiers
- Preferred name
- (S)-1-(4-Fluoro-benzyl)-pyrrolidin-3-ol
- IUPAC
- (3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol
- English name
- (S)-1-(4-Fluoro-benzyl)-pyrrolidin-3-ol
- Molecular formula
- C11H14FNO
- Molecular weight
- 195.23
Names & synonyms
1261233-72-0(S)-1-(4-Fluoro-benzyl)-pyrrolidin-3-ol(S)-1-(4-fluorobenzyl)pyrrolidin-3-ol(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-olAKOS017357777DB-223783CS-0268290EN300-188367G33539Z11276628373-Pyrrolidinol, 1-[(4-fluorophenyl)methyl]-, (3S)-
Database identifiers
- CAS
1261233-72-0
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 295.4 · 295.4±30.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- pka
- 14.8 · 14.80±0.20(Predicted)
Chemistry & industry
Suppliers3 total
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江阴安博生物医药有限公司086-010-62176588 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…