Chemical ID: 6913465

c1cc(cc(c1)c2cccc(c2)C(F)(F)F)C#N
Chemical ID:
6913465
Name [?]:
3-[3-(trifluoromethyl)phenyl]benzonitrile
SMILES [?]:
c1cc(cc(c1)c2cccc(c2)C(F)(F)F)C#N
InChi [?]:
InChI=1/C14H8F3N/c15-14(16,17)13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-18/h1-8H
InChi Info:
AuxInfo=1/0/N:1,9,2,6,8,10,4,12,17,3,5,7,11,13,14,15,16,18/E:(15,16,17)/rA:18nCCCCCCCCCCCCCFFFCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s11;s13;s13;s13;s3;t17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8F3N
All Atoms:26
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.3531
Area:412.887
Solvation:-1.96908
Coulombic:-24.7196
Bond Count [?]
All:19
Single:12
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:247.215
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.61
LogP (Chemaxon):4.43

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue