methyl (2S)-4-fluoro-1-methylpyrrolidine-2-carboxylate
Basic information
- CAS
13135-68-7- Standard SMILES
COC(=O)[C@@H]1CC(F)CN1C- InChIKey
KETSRBXKJYQGAD-GDVGLLTNSA-N- Molecular formula
- C7H12FNO2
- Average molar mass
- 161.17 g/mol
Names & identifiers
- Preferred name
- methyl (2S)-4-fluoro-1-methylpyrrolidine-2-carboxylate
- IUPAC
- methyl (2S)-4-fluoro-1-methylpyrrolidine-2-carboxylate
- English name
- Proline, 4-fluoro-1-methyl-, methyl ester, L- (8CI)
- Molecular formula
- C7H12FNO2
- Molecular weight
- 161.1740832
Names & synonyms
13135-68-7Proline, 4-fluoro-1-methyl-, methyl ester, L- (8CI)
Database identifiers
- CAS
13135-68-7
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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