Chemical ID: 5713585

c1cc(cc(c1)C(F)(F)F)C=CC(=O)Nc2ccc(c(c2F)F)F
Chemical ID:
5713585
Name [?]:
3-[3-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)-prop-2-enamide
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)C=CC(=O)Nc2ccc(c(c2F)F)F
InChi [?]:
InChI=1/C16H9F6NO/c17-11-5-6-12(15(19)14(11)18)23-13(24)7-4-9-2-1-3-10(8-9)16(20,21)22/h1-8H,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,18,17,12,4,3,5,19,16,13,20,21,7,24,23,22,8,9,10,15,14/E:(20,21,22)/rA:24nCCCCCCCFFFCCCONCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;w11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9F6NO
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.03945
Area:472.528
Solvation:-4.77376
Coulombic:-51.5934
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:345.239
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.67
LogP (Chemaxon):4.34

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