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

C11H11FN2O2 — CID 62674667

IUPAC3-(2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CNC(=O)N(c2ccccc2F)C1=O
InChIInChI=1S/C11H11FN2O2/c1-7-6-13-11(16)14(10(7)15)9-5-3-2-4-8(9)12/h2-5,7H,6H2,1H3,(H,13,16)
InChIKeyHKEGPWZBUWSBFF-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.52
Rot. Bonds1

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

3-(2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 62674667) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione
PubChem CID62674667
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name3-(2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CNC(=O)N(c2ccccc2F)C1=O
InChIInChI=1S/C11H11FN2O2/c1-7-6-13-11(16)14(10(7)15)9-5-3-2-4-8(9)12/h2-5,7H,6H2,1H3,(H,13,16)
InChIKeyHKEGPWZBUWSBFF-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione (CID 62674667) is 3-(2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione is CC1CNC(=O)N(c2ccccc2F)C1=O.
What is the InChIKey of 3-(2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is HKEGPWZBUWSBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-7-6-13-11(16)14(10(7)15)9-5-3-2-4-8(9)12/h2-5,7H,6H2,1H3,(H,13,16).
What are the key properties of 3-(2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione?
3-(2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 222.22 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 62674667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).