1-(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C6H4F3N3O3 — CID 129018312

IUPAC1-(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(CC(F)=C(F)F)c(=O)[nH]1
InChIInChI=1S/C6H4F3N3O3/c7-2(3(8)9)1-12-5(14)10-4(13)11-6(12)15/h1H2,(H2,10,11,13,14,15)
InChIKeyWMXHDOMFCLRBKJ-UHFFFAOYSA-N
MW223.11 g/mol
LogP-0.70
Rot. Bonds2

About 1-(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione

1-(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 129018312) has the molecular formula C6H4F3N3O3 and a molecular weight of 223.11 g/mol. Its IUPAC name is 1-(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID129018312
Molecular FormulaC6H4F3N3O3
Molecular Weight223.11 g/mol
Exact Mass223.02
IUPAC Name1-(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(CC(F)=C(F)F)c(=O)[nH]1
InChIInChI=1S/C6H4F3N3O3/c7-2(3(8)9)1-12-5(14)10-4(13)11-6(12)15/h1H2,(H2,10,11,13,14,15)
InChIKeyWMXHDOMFCLRBKJ-UHFFFAOYSA-N
XLogP-0.70
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione 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-(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 129018312) is 1-(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione is O=c1[nH]c(=O)n(CC(F)=C(F)F)c(=O)[nH]1.
What is the InChIKey of 1-(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is WMXHDOMFCLRBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O3/c7-2(3(8)9)1-12-5(14)10-4(13)11-6(12)15/h1H2,(H2,10,11,13,14,15).
What are the key properties of 1-(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1-(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 223.11 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 129018312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).