Chemical ID: 7089598

c1cc(c(cc1C#N)C(F)(F)F)F
Chemical ID:
7089598
Name [?]:
4-fluoro-3-(trifluoromethyl)benzonitrile
SMILES [?]:
c1cc(c(cc1C#N)C(F)(F)F)F
InChi [?]:
InChI=1/C8H3F4N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H
InChi Info:
AuxInfo=1/0/N:1,2,5,7,6,4,3,9,13,10,11,12,8/E:(10,11,12)/rA:13nCCCCCCCNCFFFF/rB:s1;d2;s3;d4;d1s5;s6;t7;s4;s9;s9;s9;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H3F4N
All Atoms:16
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.73068
Area:311.34
Solvation:-3.05281
Coulombic:-24.1707
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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