Chemical ID: 4198493

c1cc(cc(c1)OC(F)(F)F)NC(=O)c2ccco2
Chemical ID:
4198493
Name [?]:
N-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide
SMILES [?]:
c1cc(cc(c1)OC(F)(F)F)NC(=O)c2ccco2
InChi [?]:
InChI=1/C12H8F3NO3/c13-12(14,15)19-9-4-1-3-8(7-9)16-11(17)10-5-2-6-18-10/h1-7H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,17,2,6,16,18,4,3,5,15,13,8,9,10,11,12,14,19,7/E:(13,14,15)/rA:19nCCCCCCOCFFFNCOCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s8;s8;s3;s12;d13;s13;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8F3NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.00241
Area:415.475
Solvation:-2.38448
Coulombic:-62.3858
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:271.192
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.86
LogP (Chemaxon):2.71

Name Annotations

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Descriptor Annotations

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