Chemical ID: 6400668

COc1cccc(c1)NC(=O)C(F)(F)F
Chemical ID:
6400668
Name [?]:
2,2,2-trifluoro-N-(3-methoxyphenyl)-acetamide
SMILES [?]:
COc1cccc(c1)NC(=O)C(F)(F)F
InChi [?]:
InChI=1/C9H8F3NO2/c1-15-7-4-2-3-6(5-7)13-8(14)9(10,11)12/h2-5H,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,8,7,3,10,12,13,14,15,9,11,2/E:(10,11,12)/rA:15nCOCCCCCCNCOCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s12;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8F3NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.71072
Area:355.016
Solvation:-3.16468
Coulombic:-49.8026
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.161
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.89
LogP (Chemaxon):2.23

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Descriptor Annotations

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