1-(fluoromethyl)triazole

C3H4FN3 — CID 68716695

IUPAC1-(fluoromethyl)triazole
SMILESFCn1ccnn1
InChIInChI=1S/C3H4FN3/c4-3-7-2-1-5-6-7/h1-2H,3H2
InChIKeyCFFULOXBQVQXOZ-UHFFFAOYSA-N
MW101.08 g/mol
LogP0.21
Rot. Bonds1

About 1-(fluoromethyl)triazole

1-(fluoromethyl)triazole (PubChem CID 68716695) has the molecular formula C3H4FN3 and a molecular weight of 101.08 g/mol. Its IUPAC name is 1-(fluoromethyl)triazole.

Molecular Properties

Compound Name1-(fluoromethyl)triazole
PubChem CID68716695
Molecular FormulaC3H4FN3
Molecular Weight101.08 g/mol
Exact Mass101.04
IUPAC Name1-(fluoromethyl)triazole
SMILESFCn1ccnn1
InChIInChI=1S/C3H4FN3/c4-3-7-2-1-5-6-7/h1-2H,3H2
InChIKeyCFFULOXBQVQXOZ-UHFFFAOYSA-N
XLogP0.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.08
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)triazole?
The IUPAC name of 1-(fluoromethyl)triazole (CID 68716695) is 1-(fluoromethyl)triazole.
What is the SMILES notation for 1-(fluoromethyl)triazole?
The canonical SMILES for 1-(fluoromethyl)triazole is FCn1ccnn1.
What is the InChIKey of 1-(fluoromethyl)triazole?
The InChIKey is CFFULOXBQVQXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FN3/c4-3-7-2-1-5-6-7/h1-2H,3H2.
What are the key properties of 1-(fluoromethyl)triazole?
1-(fluoromethyl)triazole has a molecular weight of 101.08 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)triazole is sourced from PubChem (CID 68716695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).