1,1-difluorocyclohexane

• ChemBase ID: 59453
• Molecular Formular: C6H10F2
• Molecular Mass: 120.1404064
• Monoisotopic Mass: 120.07505676
• SMILES: C1CCC(CC1)(F)F
• Canonical SMILES: FC1(F)CCCCC1
• InChI: InChI=1S/C6H10F2/c7-6(8)4-2-1-3-5-6/h1-5H2
• InChIKey: ZORQXIQZAOLNGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-difluorocyclohexane
• IUPAC Traditional name: 1,1-difluorocyclohexane
• Synonyms: 1,1-Difluorocyclohexane; 4,4-Difluorocyclohexane

Database IDs

• CAS Number: 371-90-4
• MDL Number: MFCD03788491
• PubChem SID: 162064216
• PubChem CID: 164586

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1542683
• LogD (pH = 7.4): 2.1542683
• Log P: 2.1542683
• Molar Refractivity: 28.2018 cm^3
• Polarizability: 10.564113 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%