4-(fluoromethyl)-2H-triazole

C3H4FN3 — CID 69108101

IUPAC4-(fluoromethyl)-2H-triazole
SMILESFCc1cn[nH]n1
InChIInChI=1S/C3H4FN3/c4-1-3-2-5-7-6-3/h2H,1H2,(H,5,6,7)
InChIKeyNUAWODFBNJDSFM-UHFFFAOYSA-N
MW101.08 g/mol
LogP0.27
Rot. Bonds1

About 4-(fluoromethyl)-2H-triazole

4-(fluoromethyl)-2H-triazole (PubChem CID 69108101) has the molecular formula C3H4FN3 and a molecular weight of 101.08 g/mol. Its IUPAC name is 4-(fluoromethyl)-2H-triazole.

Molecular Properties

Compound Name4-(fluoromethyl)-2H-triazole
PubChem CID69108101
Molecular FormulaC3H4FN3
Molecular Weight101.08 g/mol
Exact Mass101.04
IUPAC Name4-(fluoromethyl)-2H-triazole
SMILESFCc1cn[nH]n1
InChIInChI=1S/C3H4FN3/c4-1-3-2-5-7-6-3/h2H,1H2,(H,5,6,7)
InChIKeyNUAWODFBNJDSFM-UHFFFAOYSA-N
XLogP0.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.08
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2H-triazole?
The IUPAC name of 4-(fluoromethyl)-2H-triazole (CID 69108101) is 4-(fluoromethyl)-2H-triazole.
What is the SMILES notation for 4-(fluoromethyl)-2H-triazole?
The canonical SMILES for 4-(fluoromethyl)-2H-triazole is FCc1cn[nH]n1.
What is the InChIKey of 4-(fluoromethyl)-2H-triazole?
The InChIKey is NUAWODFBNJDSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FN3/c4-1-3-2-5-7-6-3/h2H,1H2,(H,5,6,7).
What are the key properties of 4-(fluoromethyl)-2H-triazole?
4-(fluoromethyl)-2H-triazole has a molecular weight of 101.08 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2H-triazole is sourced from PubChem (CID 69108101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).