5-(chloromethyl)-1-(2-fluoroethyl)-1,2,4-triazole;hydrochloride

C5H8Cl2FN3 — CID 91662975

IUPAC5-(chloromethyl)-1-(2-fluoroethyl)-1,2,4-triazole;hydrochloride
SMILESCl.FCCn1ncnc1CCl
InChIInChI=1S/C5H7ClFN3.ClH/c6-3-5-8-4-9-10(5)2-1-7;/h4H,1-3H2;1H
InChIKeyJLEQRCFXMUOKFM-UHFFFAOYSA-N
MW200.04 g/mol
LogP1.41
Rot. Bonds3

About 5-(chloromethyl)-1-(2-fluoroethyl)-1,2,4-triazole;hydrochloride

5-(chloromethyl)-1-(2-fluoroethyl)-1,2,4-triazole;hydrochloride (PubChem CID 91662975) has the molecular formula C5H8Cl2FN3 and a molecular weight of 200.04 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(2-fluoroethyl)-1,2,4-triazole;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-1-(2-fluoroethyl)-1,2,4-triazole;hydrochloride
PubChem CID91662975
Molecular FormulaC5H8Cl2FN3
Molecular Weight200.04 g/mol
Exact Mass199.01
IUPAC Name5-(chloromethyl)-1-(2-fluoroethyl)-1,2,4-triazole;hydrochloride
SMILESCl.FCCn1ncnc1CCl
InChIInChI=1S/C5H7ClFN3.ClH/c6-3-5-8-4-9-10(5)2-1-7;/h4H,1-3H2;1H
InChIKeyJLEQRCFXMUOKFM-UHFFFAOYSA-N
XLogP1.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.04
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(2-fluoroethyl)-1,2,4-triazole;hydrochloride?
The IUPAC name of 5-(chloromethyl)-1-(2-fluoroethyl)-1,2,4-triazole;hydrochloride (CID 91662975) is 5-(chloromethyl)-1-(2-fluoroethyl)-1,2,4-triazole;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-1-(2-fluoroethyl)-1,2,4-triazole;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-1-(2-fluoroethyl)-1,2,4-triazole;hydrochloride is Cl.FCCn1ncnc1CCl.
What is the InChIKey of 5-(chloromethyl)-1-(2-fluoroethyl)-1,2,4-triazole;hydrochloride?
The InChIKey is JLEQRCFXMUOKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClFN3.ClH/c6-3-5-8-4-9-10(5)2-1-7;/h4H,1-3H2;1H.
What are the key properties of 5-(chloromethyl)-1-(2-fluoroethyl)-1,2,4-triazole;hydrochloride?
5-(chloromethyl)-1-(2-fluoroethyl)-1,2,4-triazole;hydrochloride has a molecular weight of 200.04 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(2-fluoroethyl)-1,2,4-triazole;hydrochloride is sourced from PubChem (CID 91662975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).