2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine

C12H16FN — CID 144681265

IUPAC2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine
SMILESCN1C=CC=CC1C(CF)=C1CCC1
InChIInChI=1S/C12H16FN/c1-14-8-3-2-7-12(14)11(9-13)10-5-4-6-10/h2-3,7-8,12H,4-6,9H2,1H3
InChIKeyQCWPXQXWGYALHH-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.82
Rot. Bonds2

About 2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine

2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine (PubChem CID 144681265) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine.

Molecular Properties

Compound Name2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine
PubChem CID144681265
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine
SMILESCN1C=CC=CC1C(CF)=C1CCC1
InChIInChI=1S/C12H16FN/c1-14-8-3-2-7-12(14)11(9-13)10-5-4-6-10/h2-3,7-8,12H,4-6,9H2,1H3
InChIKeyQCWPXQXWGYALHH-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine 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 2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine?
The IUPAC name of 2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine (CID 144681265) is 2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine.
What is the SMILES notation for 2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine?
The canonical SMILES for 2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine is CN1C=CC=CC1C(CF)=C1CCC1.
What is the InChIKey of 2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine?
The InChIKey is QCWPXQXWGYALHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-14-8-3-2-7-12(14)11(9-13)10-5-4-6-10/h2-3,7-8,12H,4-6,9H2,1H3.
What are the key properties of 2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine?
2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine has a molecular weight of 193.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine is sourced from PubChem (CID 144681265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).