1-(4-fluorophenyl)cyclopropane-1-carbonitrile

• ChemBase ID: 96288
• Molecular Formular: C10H8FN
• Molecular Mass: 161.1756232
• Monoisotopic Mass: 161.06407748
• SMILES: N#CC1(c2ccc(cc2)F)CC1
• Canonical SMILES: N#CC1(CC1)c1ccc(cc1)F
• InChI: InChI=1S/C10H8FN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-6H2
• InChIKey: MFNQFDZHIVUCOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)cyclopropane-1-carbonitrile
• IUPAC Traditional name: 1-(4-fluorophenyl)cyclopropane-1-carbonitrile
• Synonyms: 1-(4-fluorophenyl)cyclopropanecarbonitrile

Database IDs

• CAS Number: 97009-67-1
• MDL Number: MFCD01314307
• PubChem SID: 162082937
• PubChem CID: 2781259

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4469197
• LogD (pH = 7.4): 2.4469197
• Log P: 2.4469197
• Molar Refractivity: 43.8346 cm^3
• Polarizability: 16.46187 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%