2-fluoroprop-1-ene

• ChemBase ID: 94987
• Molecular Formular: C3H5F
• Molecular Mass: 60.0702032
• Monoisotopic Mass: 60.03752838
• SMILES: FC(=C)C
• Canonical SMILES: CC(=C)F
• InChI: InChI=1S/C3H5F/c1-3(2)4/h1H2,2H3
• InChIKey: NGOCAPPEAVAHQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoroprop-1-ene
• IUPAC Traditional name: 1-propene, 2-fluoro-
• Synonyms: Isopropenyl fluoride; 2-Fluoroprop-1-ene

Database IDs

• CAS Number: 1184-60-7
• MDL Number: MFCD00039281
• PubChem SID: 162081638
• PubChem CID: 70899

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0350031
• LogD (pH = 7.4): 1.0350031
• Log P: 1.0350031
• Molar Refractivity: 16.0081 cm^3
• Polarizability: 5.729224 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: -24°C

Safety Information

• Storage Warning: Flammable

DETAILS

Apollo Scientific Ltd - PC2703

Cylinder - 1/4" NPTM connection