2-(4-chloro-3-fluorophenyl)triazole

C8H5ClFN3 — CID 142540032

IUPAC2-(4-chloro-3-fluorophenyl)triazole
SMILESFc1cc(-n2nccn2)ccc1Cl
InChIInChI=1S/C8H5ClFN3/c9-7-2-1-6(5-8(7)10)13-11-3-4-12-13/h1-5H
InChIKeyNTPMFJKBVLUUQH-UHFFFAOYSA-N
MW197.60 g/mol
LogP2.06
Rot. Bonds1

About 2-(4-chloro-3-fluorophenyl)triazole

2-(4-chloro-3-fluorophenyl)triazole (PubChem CID 142540032) has the molecular formula C8H5ClFN3 and a molecular weight of 197.60 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)triazole.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)triazole
PubChem CID142540032
Molecular FormulaC8H5ClFN3
Molecular Weight197.60 g/mol
Exact Mass197.02
IUPAC Name2-(4-chloro-3-fluorophenyl)triazole
SMILESFc1cc(-n2nccn2)ccc1Cl
InChIInChI=1S/C8H5ClFN3/c9-7-2-1-6(5-8(7)10)13-11-3-4-12-13/h1-5H
InChIKeyNTPMFJKBVLUUQH-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)triazole?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)triazole (CID 142540032) is 2-(4-chloro-3-fluorophenyl)triazole.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)triazole?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)triazole is Fc1cc(-n2nccn2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)triazole?
The InChIKey is NTPMFJKBVLUUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3/c9-7-2-1-6(5-8(7)10)13-11-3-4-12-13/h1-5H.
What are the key properties of 2-(4-chloro-3-fluorophenyl)triazole?
2-(4-chloro-3-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-(4-chloro-3-fluorophenyl)triazole is sourced from PubChem (CID 142540032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).