Chemical ID: 6149903

CC1CCN(CC1)S(=O)(=O)c2ccccc2C(F)(F)F
Chemical ID:
6149903
Name [?]:
4-methyl-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine
SMILES [?]:
CC1CCN(CC1)S(=O)(=O)c2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C13H16F3NO2S/c1-10-6-8-17(9-7-10)20(18,19)12-5-3-2-4-11(12)13(14,15)16/h2-5,10H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,3,7,4,6,2,16,11,17,18,19,20,5,9,10,8/E:(6,7)(8,9)(14,15,16)(18,19)/CRV:20.6/rA:20nCCCCNCCSOOCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;d12;s13;d14;d11s15;s16;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16F3NO2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.44881
Area:417.792
Solvation:-2.99598
Coulombic:-25.6796
Bond Count [?]
All:21
Single:16
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:307.333
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.41
LogP (Chemaxon):3.11

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