Chemical ID: 4115194

c1cc(c(c(c1)F)C#N)C(F)(F)F
Chemical ID:
4115194
Name [?]:
2-fluoro-6-(trifluoromethyl)benzonitrile
SMILES [?]:
c1cc(c(c(c1)F)C#N)C(F)(F)F
InChi [?]:
InChI=1/C8H3F4N/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H
InChi Info:
AuxInfo=1/0/N:1,2,6,8,4,3,5,10,7,11,12,13,9/E:(10,11,12)/rA:13nCCCCCCFCNCFFF/rB:s1;d2;s3;d4;d1s5;s5;s4;t8;s3;s10;s10;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H3F4N
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.54531
Area:301.268
Solvation:-2.98639
Coulombic:-24.0675
Bond Count [?]
All:13
Single:9
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:189.11
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.83
LogP (Chemaxon):2.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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