N-cyano-N-(2-fluorophenyl)formamide

• ChemBase ID: 108190
• Molecular Formular: C8H5FN2O
• Molecular Mass: 164.1365032
• Monoisotopic Mass: 164.03859101
• SMILES: Fc1ccccc1N(C=O)C#N
• Canonical SMILES: O=CN(c1ccccc1F)C#N
• InChI: InChI=1S/C8H5FN2O/c9-7-3-1-2-4-8(7)11(5-10)6-12/h1-4,6H
• InChIKey: PQZWHWVHIKQSCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyano-N-(2-fluorophenyl)formamide
• IUPAC Traditional name: N-cyano-N-(2-fluorophenyl)formamide
• Synonyms: N-(2-FLUOROPHENYL)CYANOFORMAMIDE

Database IDs

• PubChem SID: 162106127
• PubChem CID: 25021688

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.149542
• LogD (pH = 7.4): 1.149542
• Log P: 1.149542
• Molar Refractivity: 40.7217 cm^3
• Polarizability: 14.792337 Å^3
• Polar Surface Area: 44.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206399

MP Biomedicals Rare Chemical collection