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Chemical ID: 4120163
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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