5-acetyl-4-hydroxy-6-(3-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one

C14H15F3N2O3 — CID 3311657

IUPAC5-acetyl-4-hydroxy-6-(3-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCC(=O)C1C(c2cccc(C)c2)NC(=O)NC1(O)C(F)(F)F
InChIInChI=1S/C14H15F3N2O3/c1-7-4-3-5-9(6-7)11-10(8(2)20)13(22,14(15,16)17)19-12(21)18-11/h3-6,10-11,22H,1-2H3,(H2,18,19,21)
InChIKeyUCQANRNMCGXMLU-UHFFFAOYSA-N
MW316.28 g/mol
LogP1.81
Rot. Bonds2

About 5-acetyl-4-hydroxy-6-(3-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one

5-acetyl-4-hydroxy-6-(3-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 3311657) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 5-acetyl-4-hydroxy-6-(3-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-acetyl-4-hydroxy-6-(3-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID3311657
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name5-acetyl-4-hydroxy-6-(3-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCC(=O)C1C(c2cccc(C)c2)NC(=O)NC1(O)C(F)(F)F
InChIInChI=1S/C14H15F3N2O3/c1-7-4-3-5-9(6-7)11-10(8(2)20)13(22,14(15,16)17)19-12(21)18-11/h3-6,10-11,22H,1-2H3,(H2,18,19,21)
InChIKeyUCQANRNMCGXMLU-UHFFFAOYSA-N
XLogP1.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-hydroxy-6-(3-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 5-acetyl-4-hydroxy-6-(3-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (CID 3311657) is 5-acetyl-4-hydroxy-6-(3-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-acetyl-4-hydroxy-6-(3-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 5-acetyl-4-hydroxy-6-(3-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is CC(=O)C1C(c2cccc(C)c2)NC(=O)NC1(O)C(F)(F)F.
What is the InChIKey of 5-acetyl-4-hydroxy-6-(3-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is UCQANRNMCGXMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-7-4-3-5-9(6-7)11-10(8(2)20)13(22,14(15,16)17)19-12(21)18-11/h3-6,10-11,22H,1-2H3,(H2,18,19,21).
What are the key properties of 5-acetyl-4-hydroxy-6-(3-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
5-acetyl-4-hydroxy-6-(3-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 316.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-hydroxy-6-(3-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 3311657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).