2,2-difluoroethane-1-sulfonamide

• ChemBase ID: 282065
• Molecular Formular: C2H5F2NO2S
• Molecular Mass: 145.1284064
• Monoisotopic Mass: 145.00090585
• SMILES: S(=O)(=O)(CC(F)F)N
• Canonical SMILES: FC(CS(=O)(=O)N)F
• InChI: InChI=1S/C2H5F2NO2S/c3-2(4)1-8(5,6)7/h2H,1H2,(H2,5,6,7)
• InChIKey: ZXBOMSJOUZHDTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoroethane-1-sulfonamide
• IUPAC Traditional name: 2,2-difluoroethanesulfonamide
• Synonyms: 2,2-difluoroethane-1-sulfonamide

Database IDs

• MDL Number: MFCD16990720
• PubChem SID: 180667596
• PubChem CID: 50989787

CALCULATED PROPERTIES

• Acid pKa: 8.577344
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9170464
• LogD (pH = 7.4): -0.9413953
• Log P: -0.91672456
• Molar Refractivity: 22.7511 cm^3
• Polarizability: 9.715757 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.919

Product Information

• Purity: 95%