Chemical ID: 4120163

C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Chemical ID:
4120163
Name [?]:
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
SMILES [?]:
C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChi [?]:
InChI=1/C8HF17O3S/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/h(H,26,27,28)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,18,3,19,4,20,5,28,29,16,17,26,27,14,15,24,25,12,13,21,22,23,6,7,9,10,11,8/E:(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22,23)(24,25)(26,27,28)/CRV:29.6/rA:29nCCCCCFFSOOO-FFFFFFCCCFFFFFFFFF/rB:s1;s2;s3;s4;s5;s5;s5;d8;d8;s8;s4;s4;s3;s3;s2;s2;s1;s18;s19;s20;s20;s20;s19;s19;s18;s18;s1;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8F17O3S-
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:-28.8075
Area:458.486
Solvation:-40.2697
Coulombic:-83.1294
Bond Count [?]
All:28
Single:26
Double:2
Rotors:8
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:499.123
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.89
LogP (Chemaxon):5.98

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Descriptor Annotations

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