Chemical ID: 6149901

c1ccc(c(c1)C(F)(F)F)S(=O)(=O)N2CCCCC2
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

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