1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione

C11H10F2N2O2 — CID 85448287

IUPAC1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(Cc2c(F)cccc2F)C(=O)N1
InChIInChI=1S/C11H10F2N2O2/c12-8-2-1-3-9(13)7(8)6-15-5-4-10(16)14-11(15)17/h1-3H,4-6H2,(H,14,16,17)
InChIKeySMIRTVINDHDHTD-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.41
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione

1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 85448287) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID85448287
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(Cc2c(F)cccc2F)C(=O)N1
InChIInChI=1S/C11H10F2N2O2/c12-8-2-1-3-9(13)7(8)6-15-5-4-10(16)14-11(15)17/h1-3H,4-6H2,(H,14,16,17)
InChIKeySMIRTVINDHDHTD-UHFFFAOYSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Phenyl-1,3-diazinane-2,4-dione
CID 239233
6-Chloro-3-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2143092
1-Benzyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2367271
1-[(2-Fluorophenyl)methyl]imidazolidine-2,4,5-trione
CID 2767579
1-benzylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 268726
N,N'-Benzylidenebisacetamide
CID 23346
Barbituric acid, 1-benzyl-5,5-diallyl-
CID 48576
6-Amino-1-benzyluracil
CID 250746
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide
CID 604036
1-Benzyl-5-bromo-1,3-diazinane-2,4-dione
CID 237961
6-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 129906821

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione (CID 85448287) is 1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione is O=C1CCN(Cc2c(F)cccc2F)C(=O)N1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is SMIRTVINDHDHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c12-8-2-1-3-9(13)7(8)6-15-5-4-10(16)14-11(15)17/h1-3H,4-6H2,(H,14,16,17).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione?
1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 240.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 85448287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).