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

C9H4Cl2F3N3 — CID 91517519

IUPAC1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole
SMILESFC(F)(F)c1cc(Cl)c(-n2ccnn2)c(Cl)c1
InChIInChI=1S/C9H4Cl2F3N3/c10-6-3-5(9(12,13)14)4-7(11)8(6)17-2-1-15-16-17/h1-4H
InChIKeyFAAGPGBBQGNSEJ-UHFFFAOYSA-N
MW282.05 g/mol
LogP3.59
Rot. Bonds1

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

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole (PubChem CID 91517519) has the molecular formula C9H4Cl2F3N3 and a molecular weight of 282.05 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole
PubChem CID91517519
Molecular FormulaC9H4Cl2F3N3
Molecular Weight282.05 g/mol
Exact Mass280.97
IUPAC Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole
SMILESFC(F)(F)c1cc(Cl)c(-n2ccnn2)c(Cl)c1
InChIInChI=1S/C9H4Cl2F3N3/c10-6-3-5(9(12,13)14)4-7(11)8(6)17-2-1-15-16-17/h1-4H
InChIKeyFAAGPGBBQGNSEJ-UHFFFAOYSA-N
XLogP3.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.05
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(triazol-1-yl)-5-(trifluoromethyl)aniline
CID 59199733
[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 19778386
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 67446980
4-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole
CID 14402643
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethenyl-1,2,4-triazole
CID 22645637
4-(2-bromoethynyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylpyrazole
CID 21188138
4-[(Z)-1,2-dibromoethenyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 21188100
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine
CID 154465784
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 141466675
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 22618556
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine
CID 19988896
1-(2,3,5-trichlorophenyl)triazole
CID 146424938

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole?
The IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole (CID 91517519) is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole.
What is the SMILES notation for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole?
The canonical SMILES for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole is FC(F)(F)c1cc(Cl)c(-n2ccnn2)c(Cl)c1.
What is the InChIKey of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole?
The InChIKey is FAAGPGBBQGNSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2F3N3/c10-6-3-5(9(12,13)14)4-7(11)8(6)17-2-1-15-16-17/h1-4H.
What are the key properties of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole?
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole has a molecular weight of 282.05 g/mol, XLogP of 3.59, 1 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]triazole is sourced from PubChem (CID 91517519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).