1-benzyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione

C12H11F3N2O2 — CID 13457644

IUPAC1-benzyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)N(Cc2ccccc2)CC1C(F)(F)F
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)9-7-17(11(19)16-10(9)18)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,16,18,19)
InChIKeyBVCYBRUXTGDWGM-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.92
Rot. Bonds2

About 1-benzyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione

1-benzyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione (PubChem CID 13457644) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 1-benzyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione
PubChem CID13457644
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name1-benzyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)N(Cc2ccccc2)CC1C(F)(F)F
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)9-7-17(11(19)16-10(9)18)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,16,18,19)
InChIKeyBVCYBRUXTGDWGM-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Phenyl-1,3-diazinane-2,4-dione
CID 239233
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-1-(phenylmethyl)-
CID 166340
1-Benzyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2367271
1-benzylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 268726
N,N'-Benzylidenebisacetamide
CID 23346
Barbituric acid, 1-benzyl-5,5-diallyl-
CID 48576
6-Amino-1-benzyluracil
CID 250746
2-(3,5-bistrifluoromethylbenzylamino)-6-oxo-1H-pyrimidine-5-carbohydroxamic acid (HX1)
CID 124221769
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide
CID 604036
1-Benzyl-5-bromo-1,3-diazinane-2,4-dione
CID 237961
N-[(4-fluorophenyl)methyl]-7-hydroxy-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carboxamide
CID 129906986

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-benzyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione (CID 13457644) is 1-benzyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-benzyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-benzyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione is O=C1NC(=O)N(Cc2ccccc2)CC1C(F)(F)F.
What is the InChIKey of 1-benzyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione?
The InChIKey is BVCYBRUXTGDWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c13-12(14,15)9-7-17(11(19)16-10(9)18)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,16,18,19).
What are the key properties of 1-benzyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione?
1-benzyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione has a molecular weight of 272.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 13457644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).