5-(3-fluorophenyl)-5-methyl-1,3-oxazinan-2-one

C11H12FNO2 — CID 105462652

IUPAC5-(3-fluorophenyl)-5-methyl-1,3-oxazinan-2-one
SMILESCC1(c2cccc(F)c2)CNC(=O)OC1
InChIInChI=1S/C11H12FNO2/c1-11(6-13-10(14)15-7-11)8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyPAJOOWQANMERIU-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.82
Rot. Bonds1

About 5-(3-fluorophenyl)-5-methyl-1,3-oxazinan-2-one

5-(3-fluorophenyl)-5-methyl-1,3-oxazinan-2-one (PubChem CID 105462652) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-5-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-5-methyl-1,3-oxazinan-2-one
PubChem CID105462652
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name5-(3-fluorophenyl)-5-methyl-1,3-oxazinan-2-one
SMILESCC1(c2cccc(F)c2)CNC(=O)OC1
InChIInChI=1S/C11H12FNO2/c1-11(6-13-10(14)15-7-11)8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyPAJOOWQANMERIU-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3-fluorophenyl)-5-methyl-1,3-oxazinan-2-one 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 5-(3-fluorophenyl)-5-methyl-1,3-oxazinan-2-one?
The IUPAC name of 5-(3-fluorophenyl)-5-methyl-1,3-oxazinan-2-one (CID 105462652) is 5-(3-fluorophenyl)-5-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(3-fluorophenyl)-5-methyl-1,3-oxazinan-2-one?
The canonical SMILES for 5-(3-fluorophenyl)-5-methyl-1,3-oxazinan-2-one is CC1(c2cccc(F)c2)CNC(=O)OC1.
What is the InChIKey of 5-(3-fluorophenyl)-5-methyl-1,3-oxazinan-2-one?
The InChIKey is PAJOOWQANMERIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-11(6-13-10(14)15-7-11)8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of 5-(3-fluorophenyl)-5-methyl-1,3-oxazinan-2-one?
5-(3-fluorophenyl)-5-methyl-1,3-oxazinan-2-one has a molecular weight of 209.22 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-5-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 105462652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).