Chemical ID: 4117348

c1cc(ccc1C#N)C(F)(F)F
Chemical ID:
4117348
Name [?]:
4-(trifluoromethyl)benzonitrile
SMILES [?]:
c1cc(ccc1C#N)C(F)(F)F
InChi [?]:
InChI=1/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,6,3,9,10,11,12,8/E:(1,2)(3,4)(9,10,11)/rA:12nCCCCCCCNCFFF/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;s9;s9;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H4F3N
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.87359
Area:307.065
Solvation:-1.80305
Coulombic:-22.9678
Bond Count [?]
All:12
Single:8
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:171.119
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.67
LogP (Chemaxon):2.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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