3-fluoropropane-1-sulfonyl fluoride

• ChemBase ID: 278769
• Molecular Formular: C3H6F2O2S
• Molecular Mass: 144.1403464
• Monoisotopic Mass: 144.00565687
• SMILES: S(=O)(=O)(F)CCCF
• Canonical SMILES: FCCCS(=O)(=O)F
• InChI: InChI=1S/C3H6F2O2S/c4-2-1-3-8(5,6)7/h1-3H2
• InChIKey: QWNOXXWLUNRPEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoropropane-1-sulfonyl fluoride
• IUPAC Traditional name: 3-fluoropropane-1-sulfonyl fluoride
• Synonyms: 3-fluoropropane-1-sulfonyl fluoride

Database IDs

• MDL Number: MFCD01697638
• PubChem SID: 164334679
• PubChem CID: 68033

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.06942779
• LogD (pH = 7.4): -0.06942779
• Log P: -0.06942779
• Molar Refractivity: 25.0576 cm^3
• Polarizability: 10.298822 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.537

Product Information

• Purity: 95%