1-(2,5-difluorophenyl)triazole

C8H5F2N3 — CID 169324324

IUPAC1-(2,5-difluorophenyl)triazole
SMILESFc1ccc(F)c(-n2ccnn2)c1
InChIInChI=1S/C8H5F2N3/c9-6-1-2-7(10)8(5-6)13-4-3-11-12-13/h1-5H
InChIKeyQDPMVCYIXFSNLX-UHFFFAOYSA-N
MW181.15 g/mol
LogP1.55
Rot. Bonds1

About 1-(2,5-difluorophenyl)triazole

1-(2,5-difluorophenyl)triazole (PubChem CID 169324324) has the molecular formula C8H5F2N3 and a molecular weight of 181.15 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)triazole.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)triazole
PubChem CID169324324
Molecular FormulaC8H5F2N3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC Name1-(2,5-difluorophenyl)triazole
SMILESFc1ccc(F)c(-n2ccnn2)c1
InChIInChI=1S/C8H5F2N3/c9-6-1-2-7(10)8(5-6)13-4-3-11-12-13/h1-5H
InChIKeyQDPMVCYIXFSNLX-UHFFFAOYSA-N
XLogP1.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)triazole?
The IUPAC name of 1-(2,5-difluorophenyl)triazole (CID 169324324) is 1-(2,5-difluorophenyl)triazole.
What is the SMILES notation for 1-(2,5-difluorophenyl)triazole?
The canonical SMILES for 1-(2,5-difluorophenyl)triazole is Fc1ccc(F)c(-n2ccnn2)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)triazole?
The InChIKey is QDPMVCYIXFSNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3/c9-6-1-2-7(10)8(5-6)13-4-3-11-12-13/h1-5H.
What are the key properties of 1-(2,5-difluorophenyl)triazole?
1-(2,5-difluorophenyl)triazole has a molecular weight of 181.15 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)triazole is sourced from PubChem (CID 169324324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).