hexafluorocyclopropane

• ChemBase ID: 95095
• Molecular Formular: C3F6
• Molecular Mass: 150.0225192
• Monoisotopic Mass: 149.99041932
• SMILES: FC1(F)C(C1(F)F)(F)F
• Canonical SMILES: FC1(F)C(C1(F)F)(F)F
• InChI: InChI=1S/C3F6/c4-1(5)2(6,7)3(1,8)9
• InChIKey: GQUXQQYWQKRCPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexafluorocyclopropane
• IUPAC Traditional name: hexafluorocyclopropane
• Synonyms: Hexafluorocyclopropane; Perfluorocyclopropane 97%

Database IDs

• CAS Number: 931-91-9
• MDL Number: MFCD09763636
• PubChem SID: 162081745
• PubChem CID: 136733

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1019282
• LogD (pH = 7.4): 2.1019282
• Log P: 2.1019282
• Molar Refractivity: 14.004 cm^3
• Polarizability: 5.7545753 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -80°C
• Boiling Point: -31°C

Safety Information

• Storage Warning: Irritant

DETAILS

Apollo Scientific Ltd - PC2885

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