2-(4-fluoro-2-methylphenyl)triazole

C9H8FN3 — CID 69088112

IUPAC2-(4-fluoro-2-methylphenyl)triazole
SMILESCc1cc(F)ccc1-n1nccn1
InChIInChI=1S/C9H8FN3/c1-7-6-8(10)2-3-9(7)13-11-4-5-12-13/h2-6H,1H3
InChIKeyLYHZOJOYWGGDRU-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.71
Rot. Bonds1

About 2-(4-fluoro-2-methylphenyl)triazole

2-(4-fluoro-2-methylphenyl)triazole (PubChem CID 69088112) has the molecular formula C9H8FN3 and a molecular weight of 177.18 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)triazole.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)triazole
PubChem CID69088112
Molecular FormulaC9H8FN3
Molecular Weight177.18 g/mol
Exact Mass177.07
IUPAC Name2-(4-fluoro-2-methylphenyl)triazole
SMILESCc1cc(F)ccc1-n1nccn1
InChIInChI=1S/C9H8FN3/c1-7-6-8(10)2-3-9(7)13-11-4-5-12-13/h2-6H,1H3
InChIKeyLYHZOJOYWGGDRU-UHFFFAOYSA-N
XLogP1.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenyl)triazole
CID 72711579
1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone
CID 90400618
2-(4-fluoro-2-methylphenyl)-4H-1,2,4-triazol-3-one
CID 141266966
[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid
CID 66521547
5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole
CID 66015719
1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 28974076
[4-fluoro-2-(triazol-2-yl)phenyl]methylhydrazine
CID 70960169
1-(4-fluoro-2-methylphenyl)piperidine;methanol
CID 159526986
2-(3,4-dimethylphenyl)triazole
CID 90292657
2-(4-fluoro-2-methylphenyl)-3,4-dihydropyrazol-5-amine
CID 83233296
3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole
CID 66015747
2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole
CID 150560380

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)triazole?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)triazole (CID 69088112) is 2-(4-fluoro-2-methylphenyl)triazole.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)triazole?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)triazole is Cc1cc(F)ccc1-n1nccn1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)triazole?
The InChIKey is LYHZOJOYWGGDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3/c1-7-6-8(10)2-3-9(7)13-11-4-5-12-13/h2-6H,1H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)triazole?
2-(4-fluoro-2-methylphenyl)triazole has a molecular weight of 177.18 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)triazole is sourced from PubChem (CID 69088112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).