Basic information
- Standard SMILES
O=C=NCc1ccc(N2CCCCC2)c(F)c1- InChIKey
RITLNDZXJVSVOR-UHFFFAOYSA-N- Molecular formula
- C13H15FN2O
- Average molar mass
- 234.27 g/mol
Names & identifiers
- Preferred name
- 1-[2-Fluoro-4-(isocyanatomethyl)phenyl]piperidine
- IUPAC
- 1-[2-fluoro-4-(isocyanatomethyl)phenyl]piperidine
Names & synonyms
SCHEMBL4021157RITLNDZXJVSVOR-UHFFFAOYSA-N1-[2-fluoro-4-(isocyanatomethyl)phenyl]piperidine
Database identifiers
- PubChem CID
- 22337607
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Related reactions
4 records
Compound notes
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