1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one

C11H13FN2O — CID 58845355

IUPAC1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one
SMILESCc1ccc(N2CCCNC2=O)c(F)c1
InChIInChI=1S/C11H13FN2O/c1-8-3-4-10(9(12)7-8)14-6-2-5-13-11(14)15/h3-4,7H,2,5-6H2,1H3,(H,13,15)
InChIKeyAVDGNYFGWILMDW-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.05
Rot. Bonds1

About 1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one

1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one (PubChem CID 58845355) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one
PubChem CID58845355
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one
SMILESCc1ccc(N2CCCNC2=O)c(F)c1
InChIInChI=1S/C11H13FN2O/c1-8-3-4-10(9(12)7-8)14-6-2-5-13-11(14)15/h3-4,7H,2,5-6H2,1H3,(H,13,15)
InChIKeyAVDGNYFGWILMDW-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one (CID 58845355) is 1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one is Cc1ccc(N2CCCNC2=O)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one?
The InChIKey is AVDGNYFGWILMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-8-3-4-10(9(12)7-8)14-6-2-5-13-11(14)15/h3-4,7H,2,5-6H2,1H3,(H,13,15).
What are the key properties of 1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one?
1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one has a molecular weight of 208.24 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 58845355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).