4-Morpholineacetonitrile, alpha-(3-fluorophenyl)-
Basic information
- CAS
66549-02-8- Standard SMILES
N#CC(c1cccc(F)c1)N1CCOCC1- InChIKey
DJQGAUXZZNJOHY-UHFFFAOYSA-N- Molecular formula
- C12H13FN2O
- Average molar mass
- 220.24 g/mol
- Monoisotopic mass
- 220.1011912
Names & identifiers
- Preferred name
- 4-Morpholineacetonitrile, alpha-(3-fluorophenyl)-
- IUPAC
- 2-(3-fluorophenyl)-2-morpholin-4-ylacetonitrile
Names & synonyms
4-Morpholineacetonitrile, alpha-(3-fluorophenyl)-66549-02-8CHEMBL1195470SCHEMBL11464268DJQGAUXZZNJOHY-UHFFFAOYSA-NDTXSID601260330AKOS009986225(3-Fluorophenyl)(morpholin-4-yl)acetonitrilealpha-(m-fluorophenyl)-4-morpholineacetonitrile2-(3-fluorophenyl)-2-morpholin-4-ylacetonitrileI+/--(3-Fluorophenyl)-4-morpholineacetonitrile
Database identifiers
- CAS
66549-02-8- PubChem CID
- 12449502
- DTXSID
DTXSID601260330- ChEMBL
CHEMBL1195470
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
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Related reactions
2 records
Compound notes
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