6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one

C11H13FN2O — CID 86649305

IUPAC6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one
SMILESCN1C(=O)NCCC1c1ccc(F)cc1
InChIInChI=1S/C11H13FN2O/c1-14-10(6-7-13-11(14)15)8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3,(H,13,15)
InChIKeyUWNQVYRYUKBGBJ-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.91
Rot. Bonds1

About 6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one

6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one (PubChem CID 86649305) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one
PubChem CID86649305
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one
SMILESCN1C(=O)NCCC1c1ccc(F)cc1
InChIInChI=1S/C11H13FN2O/c1-14-10(6-7-13-11(14)15)8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3,(H,13,15)
InChIKeyUWNQVYRYUKBGBJ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one
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7-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 136775856
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2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one
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5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 134691416
methyl 2-[7-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate
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4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one?
The IUPAC name of 6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one (CID 86649305) is 6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one is CN1C(=O)NCCC1c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one?
The InChIKey is UWNQVYRYUKBGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-14-10(6-7-13-11(14)15)8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3,(H,13,15).
What are the key properties of 6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one?
6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one has a molecular weight of 208.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 86649305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).