Chemical ID: 5532020

c1cc(cc(c1)OC(F)(F)F)NC(=O)c2cccs2
Chemical ID:
5532020
Name [?]:
N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
SMILES [?]:
c1cc(cc(c1)OC(F)(F)F)NC(=O)c2cccs2
InChi [?]:
InChI=1/C12H8F3NO2S/c13-12(14,15)18-9-4-1-3-8(7-9)16-11(17)10-5-2-6-19-10/h1-7H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,17,2,6,16,18,4,3,5,15,13,8,9,10,11,12,14,7,19/E:(13,14,15)/rA:19nCCCCCCOCFFFNCOCCCCS/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:C12H8F3NO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.8675
Area:429.914
Solvation:-1.88036
Coulombic:-55.1716
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:287.259
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.19
LogP (Chemaxon):3.17

Name Annotations

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Descriptor Annotations

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