1,1,2,2,3-pentafluorocyclobutane

• ChemBase ID: 98581
• Molecular Formular: C4H3F5
• Molecular Mass: 146.058636
• Monoisotopic Mass: 146.0154912
• SMILES: FC1(C(CC1(F)F)F)F
• Canonical SMILES: FC1CC(C1(F)F)(F)F
• InChI: InChI=1S/C4H3F5/c5-2-1-3(6,7)4(2,8)9/h2H,1H2
• InChIKey: CCVRBOAAPJPHKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3-pentafluorocyclobutane
• IUPAC Traditional name: 1,1,2,2,3-pentafluorocyclobutane
• Synonyms: 1,1,2,2,3-Pentafluorocyclobutane; 3H,4H,4H-Perfluorocyclobutane

Database IDs

• CAS Number: 2253-02-3
• PubChem SID: 162084984
• PubChem CID: 9989386

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9323454
• LogD (pH = 7.4): 1.9323454
• Log P: 1.9323454
• Molar Refractivity: 18.0582 cm^3
• Polarizability: 7.1701355 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant