1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethenyl-1,2,4-triazole

C11H6Cl2F3N3 — CID 22645637

IUPAC1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethenyl-1,2,4-triazole
SMILESC=Cc1ncn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H6Cl2F3N3/c1-2-9-17-5-19(18-9)10-7(12)3-6(4-8(10)13)11(14,15)16/h2-5H,1H2
InChIKeyZHGGLTWRRPQOLN-UHFFFAOYSA-N
MW308.09 g/mol
LogP4.24
Rot. Bonds2

About 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethenyl-1,2,4-triazole

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethenyl-1,2,4-triazole (PubChem CID 22645637) has the molecular formula C11H6Cl2F3N3 and a molecular weight of 308.09 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethenyl-1,2,4-triazole.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethenyl-1,2,4-triazole
PubChem CID22645637
Molecular FormulaC11H6Cl2F3N3
Molecular Weight308.09 g/mol
Exact Mass306.99
IUPAC Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethenyl-1,2,4-triazole
SMILESC=Cc1ncn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H6Cl2F3N3/c1-2-9-17-5-19(18-9)10-7(12)3-6(4-8(10)13)11(14,15)16/h2-5H,1H2
InChIKeyZHGGLTWRRPQOLN-UHFFFAOYSA-N
XLogP4.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethenyl-3,5-dimethylpyrazole
CID 21188130
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole
CID 91517519
4-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole
CID 14402643
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine
CID 154465784
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 67446980
[3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-4-yl] thiocyanate
CID 150831946
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 141466675
4-(2-cyanoethenyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 57202178
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine
CID 19988896
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 22618556
[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 19778386
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)triazole-4-carbaldehyde
CID 19778414

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethenyl-1,2,4-triazole?
The IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethenyl-1,2,4-triazole (CID 22645637) is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethenyl-1,2,4-triazole.
What is the SMILES notation for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethenyl-1,2,4-triazole?
The canonical SMILES for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethenyl-1,2,4-triazole is C=Cc1ncn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethenyl-1,2,4-triazole?
The InChIKey is ZHGGLTWRRPQOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3N3/c1-2-9-17-5-19(18-9)10-7(12)3-6(4-8(10)13)11(14,15)16/h2-5H,1H2.
What are the key properties of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethenyl-1,2,4-triazole?
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethenyl-1,2,4-triazole has a molecular weight of 308.09 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethenyl-1,2,4-triazole is sourced from PubChem (CID 22645637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).