1,1-difluorocyclopentane

• ChemBase ID: 93741
• Molecular Formular: C5H8F2
• Molecular Mass: 106.1138264
• Monoisotopic Mass: 106.0594067
• SMILES: FC1(CCCC1)F
• Canonical SMILES: FC1(F)CCCC1
• InChI: InChI=1S/C5H8F2/c6-5(7)3-1-2-4-5/h1-4H2
• InChIKey: QPTDDOUBRQFLQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-difluorocyclopentane
• IUPAC Traditional name: 1,1-difluorocyclopentane
• Synonyms: 1,1-Difluorocyclopentane 98%

Database IDs

• CAS Number: 1120-70-3
• MDL Number: MFCD07368684
• PubChem SID: 162080407
• PubChem CID: 2783162

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7096995
• LogD (pH = 7.4): 1.7096995
• Log P: 1.7096995
• Molar Refractivity: 23.6008 cm^3
• Polarizability: 8.767434 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65-67°C

Safety Information

• Storage Warning: Irritant