(2,2-difluorocyclopropyl)methanesulfonyl chloride

• ChemBase ID: 801497
• Molecular Formular: C4H5ClF2O2S
• Molecular Mass: 190.5961064
• Monoisotopic Mass: 189.96668452
• SMILES: C(S(=O)(=O)Cl)C1C(C1)(F)F
• Canonical SMILES: FC1(F)CC1CS(=O)(=O)Cl
• InChI: InChI=1S/C4H5ClF2O2S/c5-10(8,9)2-3-1-4(3,6)7/h3H,1-2H2
• InChIKey: XRXKSUNMDGPHDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-difluorocyclopropyl)methanesulfonyl chloride
• IUPAC Traditional name: (2,2-difluorocyclopropyl)methanesulfonyl chloride
• Synonyms: (2,2-DIFLUOROCYCLOPROPYL)METHANESULFONYL CHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6000753
• LogD (pH = 7.4): 0.6000753
• Log P: 0.6000753
• Molar Refractivity: 32.3488 cm^3
• Polarizability: 13.412739 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%