4-fluoro-2-phenyltriazole

C8H6FN3 — CID 12686666

IUPAC4-fluoro-2-phenyltriazole
SMILESFc1cnn(-c2ccccc2)n1
InChIInChI=1S/C8H6FN3/c9-8-6-10-12(11-8)7-4-2-1-3-5-7/h1-6H
InChIKeyZXBTTXIDXWHVGN-UHFFFAOYSA-N
MW163.15 g/mol
LogP1.41
Rot. Bonds1

About 4-fluoro-2-phenyltriazole

4-fluoro-2-phenyltriazole (PubChem CID 12686666) has the molecular formula C8H6FN3 and a molecular weight of 163.15 g/mol. Its IUPAC name is 4-fluoro-2-phenyltriazole.

Molecular Properties

Compound Name4-fluoro-2-phenyltriazole
PubChem CID12686666
Molecular FormulaC8H6FN3
Molecular Weight163.15 g/mol
Exact Mass163.05
IUPAC Name4-fluoro-2-phenyltriazole
SMILESFc1cnn(-c2ccccc2)n1
InChIInChI=1S/C8H6FN3/c9-8-6-10-12(11-8)7-4-2-1-3-5-7/h1-6H
InChIKeyZXBTTXIDXWHVGN-UHFFFAOYSA-N
XLogP1.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-phenyl-2H-1,2,3-triazol-4-yl)methylidene]hydroxylamine
CID 135603818
2-phenyl-2H-1,2,3-triazole-4-carbonitrile
CID 3358673
1-(4-Fluorophenyl)-1H-1,2,3-triazole
CID 13106111
4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole
CID 708483
2-phenyl-2H-1,2,3-triazol-4-amine
CID 4421759
4-(2H-1,2,3-Triazol-2-yl)aniline
CID 15514363
(2-phenyl-2H-1,2,3-triazol-4-yl)methanamine
CID 599268
1-(3-Fluorophenyl)triazole
CID 13106110
2-(4-Nitrophenyl)-2h-1,2,3-triazole
CID 278158
2-(3-Fluorophenyl)triazole
CID 123365637
1-Methyl-2-phenyltriazol-1-ium chloride
CID 70697227
4-fluoro-N-[(E)-(2-phenyltriazol-4-yl)methylideneamino]aniline
CID 177656751

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-phenyltriazole?
The IUPAC name of 4-fluoro-2-phenyltriazole (CID 12686666) is 4-fluoro-2-phenyltriazole.
What is the SMILES notation for 4-fluoro-2-phenyltriazole?
The canonical SMILES for 4-fluoro-2-phenyltriazole is Fc1cnn(-c2ccccc2)n1.
What is the InChIKey of 4-fluoro-2-phenyltriazole?
The InChIKey is ZXBTTXIDXWHVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3/c9-8-6-10-12(11-8)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4-fluoro-2-phenyltriazole?
4-fluoro-2-phenyltriazole has a molecular weight of 163.15 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-phenyltriazole is sourced from PubChem (CID 12686666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).