3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole

C7H10ClF2N3 — CID 115408772

IUPAC3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1CC(F)F
InChIInChI=1S/C7H10ClF2N3/c1-2-3-6-11-12-7(8)13(6)4-5(9)10/h5H,2-4H2,1H3
InChIKeyFOYDVEIQXCYBDI-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.15
Rot. Bonds4

About 3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole

3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole (PubChem CID 115408772) has the molecular formula C7H10ClF2N3 and a molecular weight of 209.63 g/mol. Its IUPAC name is 3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole
PubChem CID115408772
Molecular FormulaC7H10ClF2N3
Molecular Weight209.63 g/mol
Exact Mass209.05
IUPAC Name3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1CC(F)F
InChIInChI=1S/C7H10ClF2N3/c1-2-3-6-11-12-7(8)13(6)4-5(9)10/h5H,2-4H2,1H3
InChIKeyFOYDVEIQXCYBDI-UHFFFAOYSA-N
XLogP2.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole (CID 115408772) is 3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole is CCCc1nnc(Cl)n1CC(F)F.
What is the InChIKey of 3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole?
The InChIKey is FOYDVEIQXCYBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF2N3/c1-2-3-6-11-12-7(8)13(6)4-5(9)10/h5H,2-4H2,1H3.
What are the key properties of 3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole?
3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole has a molecular weight of 209.63 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole is sourced from PubChem (CID 115408772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).