1,3-dimethyl-6-phenyl-6-(trifluoromethyl)-1,3,5-triazinane-2,4-dione

C12H12F3N3O2 — CID 3095904

IUPAC1,3-dimethyl-6-phenyl-6-(trifluoromethyl)-1,3,5-triazinane-2,4-dione
SMILESCN1C(=O)NC(c2ccccc2)(C(F)(F)F)N(C)C1=O
InChIInChI=1S/C12H12F3N3O2/c1-17-9(19)16-11(12(13,14)15,18(2)10(17)20)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,16,19)
InChIKeyOOKGICVATBKJCD-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.11
Rot. Bonds1

About 1,3-dimethyl-6-phenyl-6-(trifluoromethyl)-1,3,5-triazinane-2,4-dione

1,3-dimethyl-6-phenyl-6-(trifluoromethyl)-1,3,5-triazinane-2,4-dione (PubChem CID 3095904) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 1,3-dimethyl-6-phenyl-6-(trifluoromethyl)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-phenyl-6-(trifluoromethyl)-1,3,5-triazinane-2,4-dione
PubChem CID3095904
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name1,3-dimethyl-6-phenyl-6-(trifluoromethyl)-1,3,5-triazinane-2,4-dione
SMILESCN1C(=O)NC(c2ccccc2)(C(F)(F)F)N(C)C1=O
InChIInChI=1S/C12H12F3N3O2/c1-17-9(19)16-11(12(13,14)15,18(2)10(17)20)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,16,19)
InChIKeyOOKGICVATBKJCD-UHFFFAOYSA-N
XLogP2.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3-dimethyl-6-phenyl-6-(trifluoromethyl)-1,3,5-triazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-phenyl-6-(trifluoromethyl)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-phenyl-6-(trifluoromethyl)-1,3,5-triazinane-2,4-dione (CID 3095904) is 1,3-dimethyl-6-phenyl-6-(trifluoromethyl)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-phenyl-6-(trifluoromethyl)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-phenyl-6-(trifluoromethyl)-1,3,5-triazinane-2,4-dione is CN1C(=O)NC(c2ccccc2)(C(F)(F)F)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-6-phenyl-6-(trifluoromethyl)-1,3,5-triazinane-2,4-dione?
The InChIKey is OOKGICVATBKJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-17-9(19)16-11(12(13,14)15,18(2)10(17)20)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,16,19).
What are the key properties of 1,3-dimethyl-6-phenyl-6-(trifluoromethyl)-1,3,5-triazinane-2,4-dione?
1,3-dimethyl-6-phenyl-6-(trifluoromethyl)-1,3,5-triazinane-2,4-dione has a molecular weight of 287.24 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-phenyl-6-(trifluoromethyl)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 3095904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).