Chemical ID: 4680294

CCC(C)NC(=O)c1ccc(cc1)C(F)(F)F
Chemical ID:
4680294
Name [?]:
N-sec-butyl-4-(trifluoromethyl)benzamide
SMILES [?]:
CCC(C)NC(=O)c1ccc(cc1)C(F)(F)F
InChi [?]:
InChI=1/C12H14F3NO/c1-3-8(2)16-11(17)9-4-6-10(7-5-9)12(13,14)15/h4-8H,3H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,4,2,9,13,10,12,3,8,11,6,14,15,16,17,5,7/E:(4,5)(6,7)(13,14,15)/rA:17cCCCCNCOCCCCCCCFFF/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14F3NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.05262
Area:410.981
Solvation:-2.22191
Coulombic:-41.8744
Bond Count [?]
All:17
Single:13
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:245.241
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.59
LogP (Chemaxon):3.05

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue