Chemical ID: 7371058

c1cc(cc(c1)C(F)(F)F)C(=O)Nc2c(cccc2F)F
Chemical ID:
7371058
Name [?]:
N-(2,6-difluorophenyl)-3-(trifluoromethyl)benzamide
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)C(=O)Nc2c(cccc2F)F
InChi [?]:
InChI=1/C14H8F5NO/c15-10-5-2-6-11(16)12(10)20-13(21)8-3-1-4-9(7-8)14(17,18)19/h1-7H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,17,2,6,16,18,4,3,5,15,19,14,11,7,21,20,8,9,10,13,12/E:(5,6)(10,11)(15,16)(17,18,19)/rA:21nCCCCCCCFFFCONCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8F5NO
All Atoms:29
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.68188
Area:437.788
Solvation:-4.26283
Coulombic:-48.2865
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:301.211
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.24
LogP (Chemaxon):2.96

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