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

C12H12F2N2O2 — CID 59834621

IUPAC1-[(2,4-difluorophenyl)methyl]-3-methyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CCN(Cc2ccc(F)cc2F)C1=O
InChIInChI=1S/C12H12F2N2O2/c1-15-11(17)4-5-16(12(15)18)7-8-2-3-9(13)6-10(8)14/h2-3,6H,4-5,7H2,1H3
InChIKeyAREMLOKGZQPHLT-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.75
Rot. Bonds2

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

1-[(2,4-difluorophenyl)methyl]-3-methyl-1,3-diazinane-2,4-dione (PubChem CID 59834621) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-methyl-1,3-diazinane-2,4-dione
PubChem CID59834621
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-methyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CCN(Cc2ccc(F)cc2F)C1=O
InChIInChI=1S/C12H12F2N2O2/c1-15-11(17)4-5-16(12(15)18)7-8-2-3-9(13)6-10(8)14/h2-3,6H,4-5,7H2,1H3
InChIKeyAREMLOKGZQPHLT-UHFFFAOYSA-N
XLogP1.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-methyl-1,3-diazinane-2,4-dione (CID 59834621) is 1-[(2,4-difluorophenyl)methyl]-3-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-methyl-1,3-diazinane-2,4-dione is CN1C(=O)CCN(Cc2ccc(F)cc2F)C1=O.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-methyl-1,3-diazinane-2,4-dione?
The InChIKey is AREMLOKGZQPHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-15-11(17)4-5-16(12(15)18)7-8-2-3-9(13)6-10(8)14/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-methyl-1,3-diazinane-2,4-dione?
1-[(2,4-difluorophenyl)methyl]-3-methyl-1,3-diazinane-2,4-dione has a molecular weight of 254.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 59834621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).