3-[(2,4-difluorophenyl)methyl]-1,3-diazinan-4-one

C11H12F2N2O — CID 155294669

IUPAC3-[(2,4-difluorophenyl)methyl]-1,3-diazinan-4-one
SMILESO=C1CCNCN1Cc1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2O/c12-9-2-1-8(10(13)5-9)6-15-7-14-4-3-11(15)16/h1-2,5,14H,3-4,6-7H2
InChIKeyOXNNZBLJEUFROC-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.24
Rot. Bonds2

About 3-[(2,4-difluorophenyl)methyl]-1,3-diazinan-4-one

3-[(2,4-difluorophenyl)methyl]-1,3-diazinan-4-one (PubChem CID 155294669) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl]-1,3-diazinan-4-one.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl]-1,3-diazinan-4-one
PubChem CID155294669
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name3-[(2,4-difluorophenyl)methyl]-1,3-diazinan-4-one
SMILESO=C1CCNCN1Cc1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2O/c12-9-2-1-8(10(13)5-9)6-15-7-14-4-3-11(15)16/h1-2,5,14H,3-4,6-7H2
InChIKeyOXNNZBLJEUFROC-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Phenyl-1,3-diazinane-2,4-dione
CID 239233
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
1-Benzyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2367271
1-benzylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 268726
Simufilam
CID 46195331
N,N'-Benzylidenebisacetamide
CID 23346
Barbituric acid, 1-benzyl-5,5-diallyl-
CID 48576
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
1-Benzyl-5-bromo-1,3-diazinane-2,4-dione
CID 237961
1-[(4-Methylphenyl)methyl]-1,3-diazinan-2-one
CID 5076486
1-Benzyl-3-{3-[4-(4-fluoro-benzyl)-piperidin-1-yl]-propyl}-urea
CID 22393428

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl]-1,3-diazinan-4-one?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl]-1,3-diazinan-4-one (CID 155294669) is 3-[(2,4-difluorophenyl)methyl]-1,3-diazinan-4-one.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl]-1,3-diazinan-4-one?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl]-1,3-diazinan-4-one is O=C1CCNCN1Cc1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl]-1,3-diazinan-4-one?
The InChIKey is OXNNZBLJEUFROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-9-2-1-8(10(13)5-9)6-15-7-14-4-3-11(15)16/h1-2,5,14H,3-4,6-7H2.
What are the key properties of 3-[(2,4-difluorophenyl)methyl]-1,3-diazinan-4-one?
3-[(2,4-difluorophenyl)methyl]-1,3-diazinan-4-one has a molecular weight of 226.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl]-1,3-diazinan-4-one is sourced from PubChem (CID 155294669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).