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Perfluorooctanesulfonyl fluoride

CAT: 0926-FP71517-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FP71517-01Size:25 g
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CAS Number
307-35-7
MDL Number
MFCD00012016
Smiles
C (C (C (C (C (F) (F) S (=O) (=O) F) (F) F) (F) F) (F) F) (C (C (C (F) (F) F) (F) F) (F) F) (F) F
Molecular Formula
C8F18O2S
Molecular Weight
502.12 g/mol
Controlled
Yes

Chemical Information

Perfluorooctanesulfonyl fluoride

Perfluorooctylsulfonyl fluoride is a sulfonic acid derivative.

CAS Number307-35-7
PubChem CID9388
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride
Molecular FormulaC8F18O2S
Molecular Weight502.12
XLogP6
Topological Polar Surface Area42.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count20
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity724
SMILES
C(C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8F18O2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28
InChIKey
BHFJBHMTEDLICO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perfluorooctanesulfonyl fluoride
CAS: 307-35-7
CID: 9388
Formula: C8F18O2S
MW: 502.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight502.12
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count20
Rotatable Bond Count7
Exact Mass501.9331573
Monoisotopic Mass501.9331573
Topological Polar Surface Area42.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity724
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes