1-(2,3-difluorophenyl)-1,3-diazinan-2-one

C10H10F2N2O — CID 115370970

IUPAC1-(2,3-difluorophenyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1cccc(F)c1F
InChIInChI=1S/C10H10F2N2O/c11-7-3-1-4-8(9(7)12)14-6-2-5-13-10(14)15/h1,3-4H,2,5-6H2,(H,13,15)
InChIKeyBYOAWZNXTQBNQA-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.88
Rot. Bonds1

About 1-(2,3-difluorophenyl)-1,3-diazinan-2-one

1-(2,3-difluorophenyl)-1,3-diazinan-2-one (PubChem CID 115370970) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-1,3-diazinan-2-one
PubChem CID115370970
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name1-(2,3-difluorophenyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1cccc(F)c1F
InChIInChI=1S/C10H10F2N2O/c11-7-3-1-4-8(9(7)12)14-6-2-5-13-10(14)15/h1,3-4H,2,5-6H2,(H,13,15)
InChIKeyBYOAWZNXTQBNQA-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluorophenyl)azepan-2-one
CID 141144880
1-(3-iodo-2-methylphenyl)-1,3-diazinan-2-one
CID 130498007
1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one
CID 58845355
1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 113296328
1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one
CID 104549285
1-(2,3,4,5,6-pentafluorophenyl)-1,3-diazinan-2-one
CID 115565456
1-(3,4-difluorophenyl)-1,3-diazinan-2-one
CID 115370833
2-methyl-6-(2-oxo-1,3-diazinan-1-yl)benzonitrile
CID 107802145
1-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one
CID 115370846
1-(2-benzylphenyl)-1,3-diazinan-2-one
CID 115370897
1-(2-phenoxyphenyl)-1,3-diazinan-2-one
CID 115370899
1-(2,3-difluorophenyl)-1,4-diazepane;dihydrochloride
CID 119057105

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(2,3-difluorophenyl)-1,3-diazinan-2-one (CID 115370970) is 1-(2,3-difluorophenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(2,3-difluorophenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(2,3-difluorophenyl)-1,3-diazinan-2-one is O=C1NCCCN1c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-1,3-diazinan-2-one?
The InChIKey is BYOAWZNXTQBNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c11-7-3-1-4-8(9(7)12)14-6-2-5-13-10(14)15/h1,3-4H,2,5-6H2,(H,13,15).
What are the key properties of 1-(2,3-difluorophenyl)-1,3-diazinan-2-one?
1-(2,3-difluorophenyl)-1,3-diazinan-2-one has a molecular weight of 212.20 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 115370970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).