1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione

C12H13FN2O2 — CID 79777386

IUPAC1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCc1c(F)cccc1N1CC(C)C(=O)NC1=O
InChIInChI=1S/C12H13FN2O2/c1-7-6-15(12(17)14-11(7)16)10-5-3-4-9(13)8(10)2/h3-5,7H,6H2,1-2H3,(H,14,16,17)
InChIKeyLAWUMUWOQMICOX-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.83
Rot. Bonds1

About 1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione

1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 79777386) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione
PubChem CID79777386
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCc1c(F)cccc1N1CC(C)C(=O)NC1=O
InChIInChI=1S/C12H13FN2O2/c1-7-6-15(12(17)14-11(7)16)10-5-3-4-9(13)8(10)2/h3-5,7H,6H2,1-2H3,(H,14,16,17)
InChIKeyLAWUMUWOQMICOX-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione (CID 79777386) is 1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione is Cc1c(F)cccc1N1CC(C)C(=O)NC1=O.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is LAWUMUWOQMICOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-7-6-15(12(17)14-11(7)16)10-5-3-4-9(13)8(10)2/h3-5,7H,6H2,1-2H3,(H,14,16,17).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione?
1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 236.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).