(3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(fluoromethyl)cyclobutyl]methanone

C13H20FNO — CID 126795407

IUPAC(3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(fluoromethyl)cyclobutyl]methanone
SMILESCC1=CC(C)CN(C(=O)C2(CF)CCC2)C1
InChIInChI=1S/C13H20FNO/c1-10-6-11(2)8-15(7-10)12(16)13(9-14)4-3-5-13/h6,10H,3-5,7-9H2,1-2H3
InChIKeyUBAVKDBOJWFFOY-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.55
Rot. Bonds2

About (3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(fluoromethyl)cyclobutyl]methanone

(3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(fluoromethyl)cyclobutyl]methanone (PubChem CID 126795407) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is (3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(fluoromethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(fluoromethyl)cyclobutyl]methanone
PubChem CID126795407
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name(3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(fluoromethyl)cyclobutyl]methanone
SMILESCC1=CC(C)CN(C(=O)C2(CF)CCC2)C1
InChIInChI=1S/C13H20FNO/c1-10-6-11(2)8-15(7-10)12(16)13(9-14)4-3-5-13/h6,10H,3-5,7-9H2,1-2H3
InChIKeyUBAVKDBOJWFFOY-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(fluoromethyl)cyclobutyl]methanone 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 (3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(fluoromethyl)cyclobutyl]methanone?
The IUPAC name of (3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(fluoromethyl)cyclobutyl]methanone (CID 126795407) is (3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(fluoromethyl)cyclobutyl]methanone.
What is the SMILES notation for (3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(fluoromethyl)cyclobutyl]methanone?
The canonical SMILES for (3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(fluoromethyl)cyclobutyl]methanone is CC1=CC(C)CN(C(=O)C2(CF)CCC2)C1.
What is the InChIKey of (3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(fluoromethyl)cyclobutyl]methanone?
The InChIKey is UBAVKDBOJWFFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10-6-11(2)8-15(7-10)12(16)13(9-14)4-3-5-13/h6,10H,3-5,7-9H2,1-2H3.
What are the key properties of (3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(fluoromethyl)cyclobutyl]methanone?
(3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(fluoromethyl)cyclobutyl]methanone has a molecular weight of 225.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(fluoromethyl)cyclobutyl]methanone is sourced from PubChem (CID 126795407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).