1-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one

C11H13FN2O — CID 115370846

IUPAC1-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one
SMILESCc1ccc(F)cc1N1CCCNC1=O
InChIInChI=1S/C11H13FN2O/c1-8-3-4-9(12)7-10(8)14-6-2-5-13-11(14)15/h3-4,7H,2,5-6H2,1H3,(H,13,15)
InChIKeyRJIRCORQBSBWIC-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.05
Rot. Bonds1

About 1-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one

1-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one (PubChem CID 115370846) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one
PubChem CID115370846
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name1-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one
SMILESCc1ccc(F)cc1N1CCCNC1=O
InChIInChI=1S/C11H13FN2O/c1-8-3-4-9(12)7-10(8)14-6-2-5-13-11(14)15/h3-4,7H,2,5-6H2,1H3,(H,13,15)
InChIKeyRJIRCORQBSBWIC-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-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one (CID 115370846) is 1-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one is Cc1ccc(F)cc1N1CCCNC1=O.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one?
The InChIKey is RJIRCORQBSBWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-8-3-4-9(12)7-10(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-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one?
1-(5-fluoro-2-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-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 115370846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).