Chemical ID: 5182961

Cc1cnnn1c2cccc(c2)C(F)(F)F
Chemical ID:
5182961
Name [?]:
5-methyl-1-[3-(trifluoromethyl)phenyl]-triazole
SMILES [?]:
Cc1cnnn1c2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C10H8F3N3/c1-7-6-14-15-16(7)9-4-2-3-8(5-9)10(11,12)13/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,8,12,3,2,11,7,13,14,15,16,4,5,6/E:(11,12,13)/rA:16nCCCNNNCCCCCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8F3N3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.48081
Area:361.631
Solvation:-2.55997
Coulombic:-21.7549
Bond Count [?]
All:17
Single:12
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:227.186
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.32
LogP (Chemaxon):2.27

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