1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one

C12H15FN2O2 — CID 113399851

IUPAC1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one
SMILESCCOc1ccc(N2CCCNC2=O)cc1F
InChIInChI=1S/C12H15FN2O2/c1-2-17-11-5-4-9(8-10(11)13)15-7-3-6-14-12(15)16/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyCZJGFUNWKJWVHI-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.14
Rot. Bonds3

About 1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one

1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one (PubChem CID 113399851) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one
PubChem CID113399851
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one
SMILESCCOc1ccc(N2CCCNC2=O)cc1F
InChIInChI=1S/C12H15FN2O2/c1-2-17-11-5-4-9(8-10(11)13)15-7-3-6-14-12(15)16/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyCZJGFUNWKJWVHI-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-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 1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one (CID 113399851) is 1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one is CCOc1ccc(N2CCCNC2=O)cc1F.
What is the InChIKey of 1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one?
The InChIKey is CZJGFUNWKJWVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-2-17-11-5-4-9(8-10(11)13)15-7-3-6-14-12(15)16/h4-5,8H,2-3,6-7H2,1H3,(H,14,16).
What are the key properties of 1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one?
1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one has a molecular weight of 238.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 113399851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).