tridecafluorohexane-1-sulfonyl fluoride

• ChemBase ID: 98753
• Molecular Formular: C6F14O2S
• Molecular Mass: 402.1056448
• Monoisotopic Mass: 401.93954532
• SMILES: FC(C(F)(F)F)(F)C(C(F)(C(F)(F)C(S(=O)(=O)F)(F)F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6F14O2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22
• InChIKey: HSDJWNJDPDJOEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tridecafluorohexane-1-sulfonyl fluoride
• IUPAC Traditional name: tridecafluorohexane-1-sulfonyl fluoride
• Synonyms: 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulphonyl fluoride; Perfluorohexanesulphonyl fluoride 97%

Database IDs

• CAS Number: 423-50-7
• MDL Number: MFCD00042452
• PubChem SID: 162085122
• PubChem CID: 67918

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5063496
• LogD (pH = 7.4): 4.5063496
• Log P: 4.5063496
• Molar Refractivity: 40.5796 cm^3
• Polarizability: 16.633419 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110°C
• Flash Point: none°C
• Refractive Index: 1.2918

Safety Information

• Storage Warning: Corrosive