1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione

C12H12F3N3O3 — CID 21257259

IUPAC1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(C/C=C/F)c(=O)n(C/C=C/F)c(=O)n1C/C=C/F
InChIInChI=1S/C12H12F3N3O3/c13-4-1-7-16-10(19)17(8-2-5-14)12(21)18(11(16)20)9-3-6-15/h1-6H,7-9H2/b4-1+,5-2+,6-3+
InChIKeyVCFVVLVEPYOCCP-GZDDRBCLSA-N
MW303.24 g/mol
LogP0.62
Rot. Bonds6

About 1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione

1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 21257259) has the molecular formula C12H12F3N3O3 and a molecular weight of 303.24 g/mol. Its IUPAC name is 1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID21257259
Molecular FormulaC12H12F3N3O3
Molecular Weight303.24 g/mol
Exact Mass303.08
IUPAC Name1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(C/C=C/F)c(=O)n(C/C=C/F)c(=O)n1C/C=C/F
InChIInChI=1S/C12H12F3N3O3/c13-4-1-7-16-10(19)17(8-2-5-14)12(21)18(11(16)20)9-3-6-15/h1-6H,7-9H2/b4-1+,5-2+,6-3+
InChIKeyVCFVVLVEPYOCCP-GZDDRBCLSA-N
XLogP0.62
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione (CID 21257259) is 1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione is O=c1n(C/C=C/F)c(=O)n(C/C=C/F)c(=O)n1C/C=C/F.
What is the InChIKey of 1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is VCFVVLVEPYOCCP-GZDDRBCLSA-N. The full InChI is InChI=1S/C12H12F3N3O3/c13-4-1-7-16-10(19)17(8-2-5-14)12(21)18(11(16)20)9-3-6-15/h1-6H,7-9H2/b4-1+,5-2+,6-3+.
What are the key properties of 1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 303.24 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 21257259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).