3-chloro-4-[1-(3-fluorophenyl)ethyl]-1,2,4-triazole

C10H9ClFN3 — CID 63389337

IUPAC3-chloro-4-[1-(3-fluorophenyl)ethyl]-1,2,4-triazole
SMILESCC(c1cccc(F)c1)n1cnnc1Cl
InChIInChI=1S/C10H9ClFN3/c1-7(15-6-13-14-10(15)11)8-3-2-4-9(12)5-8/h2-7H,1H3
InChIKeyWRTZIOMQCXXPPX-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.68
Rot. Bonds2

About 3-chloro-4-[1-(3-fluorophenyl)ethyl]-1,2,4-triazole

3-chloro-4-[1-(3-fluorophenyl)ethyl]-1,2,4-triazole (PubChem CID 63389337) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 3-chloro-4-[1-(3-fluorophenyl)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-[1-(3-fluorophenyl)ethyl]-1,2,4-triazole
PubChem CID63389337
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name3-chloro-4-[1-(3-fluorophenyl)ethyl]-1,2,4-triazole
SMILESCC(c1cccc(F)c1)n1cnnc1Cl
InChIInChI=1S/C10H9ClFN3/c1-7(15-6-13-14-10(15)11)8-3-2-4-9(12)5-8/h2-7H,1H3
InChIKeyWRTZIOMQCXXPPX-UHFFFAOYSA-N
XLogP2.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-(3-fluorophenyl)ethyl]-1,2,4-triazole?
The IUPAC name of 3-chloro-4-[1-(3-fluorophenyl)ethyl]-1,2,4-triazole (CID 63389337) is 3-chloro-4-[1-(3-fluorophenyl)ethyl]-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-[1-(3-fluorophenyl)ethyl]-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-[1-(3-fluorophenyl)ethyl]-1,2,4-triazole is CC(c1cccc(F)c1)n1cnnc1Cl.
What is the InChIKey of 3-chloro-4-[1-(3-fluorophenyl)ethyl]-1,2,4-triazole?
The InChIKey is WRTZIOMQCXXPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c1-7(15-6-13-14-10(15)11)8-3-2-4-9(12)5-8/h2-7H,1H3.
What are the key properties of 3-chloro-4-[1-(3-fluorophenyl)ethyl]-1,2,4-triazole?
3-chloro-4-[1-(3-fluorophenyl)ethyl]-1,2,4-triazole has a molecular weight of 225.65 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-(3-fluorophenyl)ethyl]-1,2,4-triazole is sourced from PubChem (CID 63389337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).