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CAS No.: 93894-71-4
Name: heptadecafluoro-N-methylisooctanesulphonamide
Molecular Structure:
Molecular Structure of 93894-71-4 (heptadecafluoro-N-methylisooctanesulphonamide)
Formula: C9H4F17NO2S
Molecular Weight: 513.171414
Synonyms: heptadecafluoro-N-methylisooctanesulphonamide;1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-N-methyl-6-(trifluoromethyl)heptane-1-sulfonamide;
EINECS: 299-771-6
PSA: 54.55000
LogP: 5.97420
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The Isooctanesulfonamide,heptadecafluoro-N-methyl- (9Cl), with the CAS registry number 93894-71-4 and EINECS registry number 299-771-6, has the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-N-methyl-6-(trifluoromethyl)heptane-1-sulfonamide. And the molecular formula of the chemical is C9H4F17NO2S.

The characteristics of Isooctanesulfonamide,heptadecafluoro-N-methyl- (9Cl) are as followings: (1)XLogP3-AA 5.2; (2)H-Bond Donor 1; (3)H-Bond Acceptor 20; (4)Rotatable Bond Count 7; (5)Exact Mass 512.969128; (6)MonoIsotopic Mass 512.969128; (7)Topological Polar Surface Area 54.6; (8)Heavy Atom Count 30; (9)Formal Charge 0; (10)Complexity 729; (11)Isotope Atom Count 0; (12)Defined Atom StereoCenter Count 0; (13)Undefined Atom StereoCenter Count 0; (14)Defined Bond StereoCenter Count 0; (15)Undefined Bond StereoCenter Count 0; (16)Covalently-Bonded Unit Count 1.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F
(2)InChI: InChI=1S/C9H4F17NO2S/c1-27-30(28,29)9(25,26)6(17,18)5(15,16)4(13,14)3(11,12)2(10,7(19,20)21)8(22,23)24/h27H,1H3