4-(1-fluoroethyl)-2,3-dihydro-1H-triazole

C4H8FN3 — CID 145303685

IUPAC4-(1-fluoroethyl)-2,3-dihydro-1H-triazole
SMILESCC(F)C1=CNNN1
InChIInChI=1S/C4H8FN3/c1-3(5)4-2-6-8-7-4/h2-3,6-8H,1H3
InChIKeyUBNODBIILNKDBU-UHFFFAOYSA-N
MW117.13 g/mol
LogP-0.20
Rot. Bonds1

About 4-(1-fluoroethyl)-2,3-dihydro-1H-triazole

4-(1-fluoroethyl)-2,3-dihydro-1H-triazole (PubChem CID 145303685) has the molecular formula C4H8FN3 and a molecular weight of 117.13 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-2,3-dihydro-1H-triazole.

Molecular Properties

Compound Name4-(1-fluoroethyl)-2,3-dihydro-1H-triazole
PubChem CID145303685
Molecular FormulaC4H8FN3
Molecular Weight117.13 g/mol
Exact Mass117.07
IUPAC Name4-(1-fluoroethyl)-2,3-dihydro-1H-triazole
SMILESCC(F)C1=CNNN1
InChIInChI=1S/C4H8FN3/c1-3(5)4-2-6-8-7-4/h2-3,6-8H,1H3
InChIKeyUBNODBIILNKDBU-UHFFFAOYSA-N
XLogP-0.20
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.13
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(1-fluoroethyl)-2,3-dihydro-1H-triazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-2,3-dihydro-1H-triazole?
The IUPAC name of 4-(1-fluoroethyl)-2,3-dihydro-1H-triazole (CID 145303685) is 4-(1-fluoroethyl)-2,3-dihydro-1H-triazole.
What is the SMILES notation for 4-(1-fluoroethyl)-2,3-dihydro-1H-triazole?
The canonical SMILES for 4-(1-fluoroethyl)-2,3-dihydro-1H-triazole is CC(F)C1=CNNN1.
What is the InChIKey of 4-(1-fluoroethyl)-2,3-dihydro-1H-triazole?
The InChIKey is UBNODBIILNKDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FN3/c1-3(5)4-2-6-8-7-4/h2-3,6-8H,1H3.
What are the key properties of 4-(1-fluoroethyl)-2,3-dihydro-1H-triazole?
4-(1-fluoroethyl)-2,3-dihydro-1H-triazole has a molecular weight of 117.13 g/mol, XLogP of -0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-2,3-dihydro-1H-triazole is sourced from PubChem (CID 145303685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).