2-ethenyl-1,1-difluorocyclopropane

• ChemBase ID: 71446
• Molecular Formular: C5H6F2
• Molecular Mass: 104.0979464
• Monoisotopic Mass: 104.04375663
• SMILES: C1(C(C1)C=C)(F)F
• Canonical SMILES: C=CC1CC1(F)F
• InChI: InChI=1S/C5H6F2/c1-2-4-3-5(4,6)7/h2,4H,1,3H2
• InChIKey: QCLGRUGHFNFAFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethenyl-1,1-difluorocyclopropane
• IUPAC Traditional name: 2-ethenyl-1,1-difluorocyclopropane
• Synonyms: 1,1-Difluoro-2-vinylcyclopropane

Database IDs

• CAS Number: 694-34-8
• MDL Number: MFCD08458021
• PubChem SID: 162037036
• PubChem CID: 136503

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4404664
• LogD (pH = 7.4): 1.4404664
• Log P: 1.4404664
• Molar Refractivity: 23.4603 cm^3
• Polarizability: 8.510992 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 52-53°C

Safety Information

• Storage Warning: IRRITANT; Irritant

Product Information

• Purity: 95%