2-(2,2-difluorocyclopropyl)acetic acid

• ChemBase ID: 309157
• Molecular Formular: C5H6F2O2
• Molecular Mass: 136.0967464
• Monoisotopic Mass: 136.03358587
• SMILES: C1(C(C1)CC(=O)O)(F)F
• Canonical SMILES: OC(=O)CC1CC1(F)F
• InChI: InChI=1S/C5H6F2O2/c6-5(7)2-3(5)1-4(8)9/h3H,1-2H2,(H,8,9)
• InChIKey: MBRBTSNTUSHGFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,2-difluorocyclopropyl)acetic acid
• IUPAC Traditional name: (2,2-difluorocyclopropyl)acetic acid
• Synonyms: (2,2-difluorocyclopropyl)acetic acid

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2180246
• LogD (pH = 7.4): -2.8085427
• Log P: 0.42421266
• Molar Refractivity: 25.0816 cm^3
• Polarizability: 9.584524 Å^3
• Polar Surface Area: 37.3 Å^2