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

C13H12F4N2O3 — CID 3245463

IUPAC5-acetyl-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCC(=O)C1C(c2ccc(F)cc2)NC(=O)NC1(O)C(F)(F)F
InChIInChI=1S/C13H12F4N2O3/c1-6(20)9-10(7-2-4-8(14)5-3-7)18-11(21)19-12(9,22)13(15,16)17/h2-5,9-10,22H,1H3,(H2,18,19,21)
InChIKeyPUBFKRMZYRISMK-UHFFFAOYSA-N
MW320.24 g/mol
LogP1.64
Rot. Bonds2

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

5-acetyl-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 3245463) has the molecular formula C13H12F4N2O3 and a molecular weight of 320.24 g/mol. Its IUPAC name is 5-acetyl-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-acetyl-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID3245463
Molecular FormulaC13H12F4N2O3
Molecular Weight320.24 g/mol
Exact Mass320.08
IUPAC Name5-acetyl-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCC(=O)C1C(c2ccc(F)cc2)NC(=O)NC1(O)C(F)(F)F
InChIInChI=1S/C13H12F4N2O3/c1-6(20)9-10(7-2-4-8(14)5-3-7)18-11(21)19-12(9,22)13(15,16)17/h2-5,9-10,22H,1H3,(H2,18,19,21)
InChIKeyPUBFKRMZYRISMK-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 5-acetyl-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one (CID 3245463) is 5-acetyl-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-acetyl-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 5-acetyl-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is CC(=O)C1C(c2ccc(F)cc2)NC(=O)NC1(O)C(F)(F)F.
What is the InChIKey of 5-acetyl-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is PUBFKRMZYRISMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2O3/c1-6(20)9-10(7-2-4-8(14)5-3-7)18-11(21)19-12(9,22)13(15,16)17/h2-5,9-10,22H,1H3,(H2,18,19,21).
What are the key properties of 5-acetyl-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
5-acetyl-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 320.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 3245463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).