3-(3-fluorophenyl)oxolane-3-carbaldehyde

• ChemBase ID: 308353
• Molecular Formular: C11H11FO2
• Molecular Mass: 194.2022432
• Monoisotopic Mass: 194.07430781
• SMILES: C1(c2cc(F)ccc2)(C=O)COCC1
• Canonical SMILES: O=CC1(COCC1)c1cccc(c1)F
• InChI: InChI=1S/C11H11FO2/c12-10-3-1-2-9(6-10)11(7-13)4-5-14-8-11/h1-3,6-7H,4-5,8H2
• InChIKey: XCVYIQJSZQHJSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-fluorophenyl)oxolane-3-carbaldehyde
• IUPAC Traditional name: 3-(3-fluorophenyl)oxolane-3-carbaldehyde
• Synonyms: 3-(3-fluorophenyl)tetrahydro-3-furancarbaldehyde

Database IDs

• CAS Number: 1060817-40-4
• MDL Number: MFCD11053959

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5829028
• LogD (pH = 7.4): 1.5829028
• Log P: 1.5829028
• Molar Refractivity: 50.5264 cm^3
• Polarizability: 19.256405 Å^3
• Polar Surface Area: 26.3 Å^2