4-ethyl-1-[(2,2,3,3-tetrafluorocyclobutyl)methyl]triazole

C9H11F4N3 — CID 167246262

IUPAC4-ethyl-1-[(2,2,3,3-tetrafluorocyclobutyl)methyl]triazole
SMILESCCc1cn(CC2CC(F)(F)C2(F)F)nn1
InChIInChI=1S/C9H11F4N3/c1-2-7-5-16(15-14-7)4-6-3-8(10,11)9(6,12)13/h5-6H,2-4H2,1H3
InChIKeyBSEOLJSVGYBXAW-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.13
Rot. Bonds3

About 4-ethyl-1-[(2,2,3,3-tetrafluorocyclobutyl)methyl]triazole

4-ethyl-1-[(2,2,3,3-tetrafluorocyclobutyl)methyl]triazole (PubChem CID 167246262) has the molecular formula C9H11F4N3 and a molecular weight of 237.20 g/mol. Its IUPAC name is 4-ethyl-1-[(2,2,3,3-tetrafluorocyclobutyl)methyl]triazole.

Molecular Properties

Compound Name4-ethyl-1-[(2,2,3,3-tetrafluorocyclobutyl)methyl]triazole
PubChem CID167246262
Molecular FormulaC9H11F4N3
Molecular Weight237.20 g/mol
Exact Mass237.09
IUPAC Name4-ethyl-1-[(2,2,3,3-tetrafluorocyclobutyl)methyl]triazole
SMILESCCc1cn(CC2CC(F)(F)C2(F)F)nn1
InChIInChI=1S/C9H11F4N3/c1-2-7-5-16(15-14-7)4-6-3-8(10,11)9(6,12)13/h5-6H,2-4H2,1H3
InChIKeyBSEOLJSVGYBXAW-UHFFFAOYSA-N
XLogP2.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4-ethyl-1-[(2,2,3,3-tetrafluorocyclobutyl)methyl]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-ethyl-1-[(2,2,3,3-tetrafluorocyclobutyl)methyl]triazole?
The IUPAC name of 4-ethyl-1-[(2,2,3,3-tetrafluorocyclobutyl)methyl]triazole (CID 167246262) is 4-ethyl-1-[(2,2,3,3-tetrafluorocyclobutyl)methyl]triazole.
What is the SMILES notation for 4-ethyl-1-[(2,2,3,3-tetrafluorocyclobutyl)methyl]triazole?
The canonical SMILES for 4-ethyl-1-[(2,2,3,3-tetrafluorocyclobutyl)methyl]triazole is CCc1cn(CC2CC(F)(F)C2(F)F)nn1.
What is the InChIKey of 4-ethyl-1-[(2,2,3,3-tetrafluorocyclobutyl)methyl]triazole?
The InChIKey is BSEOLJSVGYBXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4N3/c1-2-7-5-16(15-14-7)4-6-3-8(10,11)9(6,12)13/h5-6H,2-4H2,1H3.
What are the key properties of 4-ethyl-1-[(2,2,3,3-tetrafluorocyclobutyl)methyl]triazole?
4-ethyl-1-[(2,2,3,3-tetrafluorocyclobutyl)methyl]triazole has a molecular weight of 237.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2,2,3,3-tetrafluorocyclobutyl)methyl]triazole is sourced from PubChem (CID 167246262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).