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Chemical ID: 6149901
Chemical ID:
6149901
Name [?]:
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)S(=O)(=O)N2CCCCC2
InChi [?]:
InChI=1/C12H14F3NO2S/c13-12(14,15)10-6-2-3-7-11(10)19(17,18)16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-9H2
InChi Info:
AuxInfo=1/0/N:17,1,2,16,18,6,3,15,19,5,4,7,8,9,10,14,12,13,11/E:(4,5)(8,9)(13,14,15)(17,18)/CRV:19.6/rA:19nCCCCCCCFFFSOONCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;d11;d11;s11;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14F3NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.08083 |
Area: | 404.692 |
Solvation: | -3.03647 |
Coulombic: | -25.338 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 293.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.9 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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