CAS 59933-66-3|CAS 375-73-5|nonafluorobutane-1-sulfonic acid|Nonafluorobutanesulfonic acid|perfluorobutanesulfonic acid|Perfluorobutane-1-sulphonic acid|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulphoni...

General Information

Structure

Molecular Formula

C₄HF₉O₃S

Molecular Mass

300.0995688

Exact Mass

299.95026887

Charge

InChI

InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)

InChIKey

JGTNAGYHADQMCM-UHFFFAOYSA-N

Canonic Smiles

FC(C(C(S(=O)(=O)O)(F)F)(F)F)(C(F)(F)F)F

Isomeric Smiles

C(S(=O)(=O)O)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Calculated Properties

JChem

Acid pKa

-3.314291

H Acceptors

H Donor

LogD (pH = 5.5)

0.2508584

LogD (pH = 7.4)

0.25085825

Log P

2.627257

Molar Refractivity

32.3069

Polarizability

13.286682

Polar Surface Area

54.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

nonafluorobutane-1-sulfonic acid

IUPAC Traditional name

perfluorobutanesulfonic acid

Synonyms

Nonafluorobutanesulfonic acidPerfluorobutane-1-sulphonic acid1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulphonic acidNonafluorobutanesulphonic acidPerfluorobutanesulfonic acidFC-98Perfluorobutane sulfonateNonaflatePFBSNonafluorobutane-1-sulfonic acid全氟-1-丁磺酸1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid

IUPAC Systematic name

1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

CAS Number

MDL Number