Chemical ID: 4116668

c1cc(c(cc1C#N)OC(F)(F)F)C#N
Chemical ID:
4116668
Name [?]:
2-(trifluoromethoxy)benzene-1,4-dicarbonitrile
SMILES [?]:
c1cc(c(cc1C#N)OC(F)(F)F)C#N
InChi [?]:
InChI=1/C9H3F3N2O/c10-9(11,12)15-8-3-6(4-13)1-2-7(8)5-14/h1-3H
InChi Info:
AuxInfo=1/0/N:1,2,5,7,14,6,3,4,10,11,12,13,8,15,9/E:(10,11,12)/rA:15nCCCCCCCNOCFFFCN/rB:s1;d2;s3;d4;d1s5;s6;t7;s4;s9;s10;s10;s10;s3;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H3F3N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.68011
Area:356.752
Solvation:-2.23869
Coulombic:-37.9306
Bond Count [?]
All:15
Single:10
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:212.128
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.63
LogP (Chemaxon):2.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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