1,4-difluorotriazole

C2HF2N3 — CID 69089642

IUPAC1,4-difluorotriazole
SMILESFc1cn(F)nn1
InChIInChI=1S/C2HF2N3/c3-2-1-7(4)6-5-2/h1H
InChIKeyVOTOXIOLMYNASS-UHFFFAOYSA-N
MW105.05 g/mol
LogP0.15
Rot. Bonds

About 1,4-difluorotriazole

1,4-difluorotriazole (PubChem CID 69089642) has the molecular formula C2HF2N3 and a molecular weight of 105.05 g/mol. Its IUPAC name is 1,4-difluorotriazole.

Molecular Properties

Compound Name1,4-difluorotriazole
PubChem CID69089642
Molecular FormulaC2HF2N3
Molecular Weight105.05 g/mol
Exact Mass105.01
IUPAC Name1,4-difluorotriazole
SMILESFc1cn(F)nn1
InChIInChI=1S/C2HF2N3/c3-2-1-7(4)6-5-2/h1H
InChIKeyVOTOXIOLMYNASS-UHFFFAOYSA-N
XLogP0.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.05
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluorotriazole?
The IUPAC name of 1,4-difluorotriazole (CID 69089642) is 1,4-difluorotriazole.
What is the SMILES notation for 1,4-difluorotriazole?
The canonical SMILES for 1,4-difluorotriazole is Fc1cn(F)nn1.
What is the InChIKey of 1,4-difluorotriazole?
The InChIKey is VOTOXIOLMYNASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF2N3/c3-2-1-7(4)6-5-2/h1H.
What are the key properties of 1,4-difluorotriazole?
1,4-difluorotriazole has a molecular weight of 105.05 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluorotriazole is sourced from PubChem (CID 69089642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).