1-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione

C12H12F2N2O2 — CID 77073122

IUPAC1-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(Cc2ccc(F)cc2F)C(=O)NC1=O
InChIInChI=1S/C12H12F2N2O2/c1-7-5-16(12(18)15-11(7)17)6-8-2-3-9(13)4-10(8)14/h2-4,7H,5-6H2,1H3,(H,15,17,18)
InChIKeyOZYQSSPXRRNJPW-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.65
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione

1-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 77073122) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione
PubChem CID77073122
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name1-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(Cc2ccc(F)cc2F)C(=O)NC1=O
InChIInChI=1S/C12H12F2N2O2/c1-7-5-16(12(18)15-11(7)17)6-8-2-3-9(13)4-10(8)14/h2-4,7H,5-6H2,1H3,(H,15,17,18)
InChIKeyOZYQSSPXRRNJPW-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione (CID 77073122) is 1-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione is CC1CN(Cc2ccc(F)cc2F)C(=O)NC1=O.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is OZYQSSPXRRNJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-7-5-16(12(18)15-11(7)17)6-8-2-3-9(13)4-10(8)14/h2-4,7H,5-6H2,1H3,(H,15,17,18).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione?
1-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 254.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 77073122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).