3-(4-fluorophenyl)oxolane-3-carbonitrile

• ChemBase ID: 308334
• Molecular Formular: C11H10FNO
• Molecular Mass: 191.2016032
• Monoisotopic Mass: 191.07464217
• SMILES: C1(C#N)(c2ccc(cc2)F)COCC1
• Canonical SMILES: N#CC1(COCC1)c1ccc(cc1)F
• InChI: InChI=1S/C11H10FNO/c12-10-3-1-9(2-4-10)11(7-13)5-6-14-8-11/h1-4H,5-6,8H2
• InChIKey: XAZPZBFARYPVAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenyl)oxolane-3-carbonitrile
• IUPAC Traditional name: 3-(4-fluorophenyl)oxolane-3-carbonitrile
• Synonyms: 3-(4-fluorophenyl)tetrahydro-3-furancarbonitrile

Database IDs

• CAS Number: 1060817-36-8
• MDL Number: MFCD11053957

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7994679
• LogD (pH = 7.4): 1.7994679
• Log P: 1.7994679
• Molar Refractivity: 50.4311 cm^3
• Polarizability: 19.017984 Å^3
• Polar Surface Area: 33.02 Å^2