4-(2,4-difluorophenyl)-2-methyltriazole

C9H7F2N3 — CID 12063570

IUPAC4-(2,4-difluorophenyl)-2-methyltriazole
SMILESCn1ncc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C9H7F2N3/c1-14-12-5-9(13-14)7-3-2-6(10)4-8(7)11/h2-5H,1H3
InChIKeyITAOAIPSBUTFKL-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.76
Rot. Bonds1

About 4-(2,4-difluorophenyl)-2-methyltriazole

4-(2,4-difluorophenyl)-2-methyltriazole (PubChem CID 12063570) has the molecular formula C9H7F2N3 and a molecular weight of 195.17 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-methyltriazole.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-methyltriazole
PubChem CID12063570
Molecular FormulaC9H7F2N3
Molecular Weight195.17 g/mol
Exact Mass195.06
IUPAC Name4-(2,4-difluorophenyl)-2-methyltriazole
SMILESCn1ncc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C9H7F2N3/c1-14-12-5-9(13-14)7-3-2-6(10)4-8(7)11/h2-5H,1H3
InChIKeyITAOAIPSBUTFKL-UHFFFAOYSA-N
XLogP1.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-methyltriazole?
The IUPAC name of 4-(2,4-difluorophenyl)-2-methyltriazole (CID 12063570) is 4-(2,4-difluorophenyl)-2-methyltriazole.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-methyltriazole?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-methyltriazole is Cn1ncc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-methyltriazole?
The InChIKey is ITAOAIPSBUTFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3/c1-14-12-5-9(13-14)7-3-2-6(10)4-8(7)11/h2-5H,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-2-methyltriazole?
4-(2,4-difluorophenyl)-2-methyltriazole has a molecular weight of 195.17 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-methyltriazole is sourced from PubChem (CID 12063570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).