N-Ethyl perfluorohexylsulfonamide

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CAS Number

87988-56-5

Purity

=95%

Smiles

CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Chemical Information

N-Ethyl perfluorohexylsulfonamide

CAS Number	87988-56-5
PubChem CID	14661393
IUPAC Name	N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
Molecular Formula	C8H6F13NO2S
Molecular Weight	427.19
XLogP	4.3
Topological Polar Surface Area	54.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	7
Heavy Atom Count	25
Formal Charge	0
Complexity	588

SMILES

CCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C8H6F13NO2S/c1-2-22-25(23,24)8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h22H,2H2,1H3

InChIKey

ZIUMOXWDLICQQC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 87988-56-5

CID: 14661393

Formula: C8H6F13NO2S

MW: 427.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	427.19
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	7
Exact Mass	426.9911657
Monoisotopic Mass	426.9911657
Topological Polar Surface Area	54.6 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	588
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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