2-(2-chloro-4-fluorophenyl)triazole

C8H5ClFN3 — CID 72711579

IUPAC2-(2-chloro-4-fluorophenyl)triazole
SMILESFc1ccc(-n2nccn2)c(Cl)c1
InChIInChI=1S/C8H5ClFN3/c9-7-5-6(10)1-2-8(7)13-11-3-4-12-13/h1-5H
InChIKeyRPBYASUFPPBUMV-UHFFFAOYSA-N
MW197.60 g/mol
LogP2.06
Rot. Bonds1

About 2-(2-chloro-4-fluorophenyl)triazole

2-(2-chloro-4-fluorophenyl)triazole (PubChem CID 72711579) has the molecular formula C8H5ClFN3 and a molecular weight of 197.60 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)triazole.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)triazole
PubChem CID72711579
Molecular FormulaC8H5ClFN3
Molecular Weight197.60 g/mol
Exact Mass197.02
IUPAC Name2-(2-chloro-4-fluorophenyl)triazole
SMILESFc1ccc(-n2nccn2)c(Cl)c1
InChIInChI=1S/C8H5ClFN3/c9-7-5-6(10)1-2-8(7)13-11-3-4-12-13/h1-5H
InChIKeyRPBYASUFPPBUMV-UHFFFAOYSA-N
XLogP2.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-4-fluorophenyl)triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-Fluorophenyl)triazole
CID 123365637
2-Phenyl-1,2,3-triazole
CID 5079630
4-Fluoro-2-phenyltriazole
CID 12686666
4-Chloro-2-phenyl-2h-[1,2,3]triazole 3-oxide
CID 12686653
2-(3-Chlorophenyl)triazole
CID 12461595
2-(4-Chlorophenyl)-2H-1,2,3-triazole
CID 91184945
2-[2,6-Dichloro-4-(trifluoromethyl)phenyl]triazole
CID 19988869
2-(2-Fluorophenyl)triazole
CID 118422092
2-(4-Fluorophenyl)triazole
CID 123997919
5-Chloro-2-fluoro-4-(triazol-2-yl)aniline
CID 134610353
2-(2-Chloro-5-fluoro-4-nitrophenyl)triazole
CID 134610430
N-[5-chloro-2-fluoro-4-(triazol-2-yl)phenyl]hydroxylamine
CID 137292783

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)triazole?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)triazole (CID 72711579) is 2-(2-chloro-4-fluorophenyl)triazole.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)triazole?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)triazole is Fc1ccc(-n2nccn2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)triazole?
The InChIKey is RPBYASUFPPBUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3/c9-7-5-6(10)1-2-8(7)13-11-3-4-12-13/h1-5H.
What are the key properties of 2-(2-chloro-4-fluorophenyl)triazole?
2-(2-chloro-4-fluorophenyl)triazole has a molecular weight of 197.60 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)triazole is sourced from PubChem (CID 72711579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).