4-fluoro-2H-triazole

C2H2FN3 — CID 19365949

IUPAC4-fluoro-2H-triazole
SMILESFc1cn[nH]n1
InChIInChI=1S/C2H2FN3/c3-2-1-4-6-5-2/h1H,(H,4,5,6)
InChIKeyUQVNQVMNIKJMBR-UHFFFAOYSA-N
MW87.06 g/mol
LogP-0.06
Rot. Bonds

About 4-fluoro-2H-triazole

4-fluoro-2H-triazole (PubChem CID 19365949) has the molecular formula C2H2FN3 and a molecular weight of 87.06 g/mol. Its IUPAC name is 4-fluoro-2H-triazole.

Molecular Properties

Compound Name4-fluoro-2H-triazole
PubChem CID19365949
Molecular FormulaC2H2FN3
Molecular Weight87.06 g/mol
Exact Mass87.02
IUPAC Name4-fluoro-2H-triazole
SMILESFc1cn[nH]n1
InChIInChI=1S/C2H2FN3/c3-2-1-4-6-5-2/h1H,(H,4,5,6)
InChIKeyUQVNQVMNIKJMBR-UHFFFAOYSA-N
XLogP-0.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.06
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-2H-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-1,2,3-Triazole
CID 67516
5-Iodo-1,2,3-triazole
CID 19365942
1H-1,2,3-Triazol-1-amine
CID 3825723
1H-1,2,3-triazol-1-amine hydrochloride
CID 121552667
Diflouro triazole
CID 69089642
Azido-triazole-fluoride
CID 129717263
Triazole hydrate
CID 19755304
1,3-Diaza-2-azanidacyclopenta-3,5-diene
CID 20248821
Silyltriazole
CID 22051848
Triazole hydrochloride
CID 22133982
2H-1,2,3-Triazol-2-amine
CID 22600751
Triazolyl phosphine
CID 53967180

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2H-triazole?
The IUPAC name of 4-fluoro-2H-triazole (CID 19365949) is 4-fluoro-2H-triazole.
What is the SMILES notation for 4-fluoro-2H-triazole?
The canonical SMILES for 4-fluoro-2H-triazole is Fc1cn[nH]n1.
What is the InChIKey of 4-fluoro-2H-triazole?
The InChIKey is UQVNQVMNIKJMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2FN3/c3-2-1-4-6-5-2/h1H,(H,4,5,6).
What are the key properties of 4-fluoro-2H-triazole?
4-fluoro-2H-triazole has a molecular weight of 87.06 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2H-triazole is sourced from PubChem (CID 19365949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).