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

C12H9F6N3O3 — CID 54138730

IUPAC1,3,5-tris(2,3-difluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(CC(F)=CF)c(=O)n(CC(F)=CF)c(=O)n1CC(F)=CF
InChIInChI=1S/C12H9F6N3O3/c13-1-7(16)4-19-10(22)20(5-8(17)2-14)12(24)21(11(19)23)6-9(18)3-15/h1-3H,4-6H2
InChIKeyNZOLXGURNITPBN-UHFFFAOYSA-N
MW357.21 g/mol
LogP1.51
Rot. Bonds6

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

1,3,5-tris(2,3-difluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 54138730) has the molecular formula C12H9F6N3O3 and a molecular weight of 357.21 g/mol. Its IUPAC name is 1,3,5-tris(2,3-difluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(2,3-difluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID54138730
Molecular FormulaC12H9F6N3O3
Molecular Weight357.21 g/mol
Exact Mass357.05
IUPAC Name1,3,5-tris(2,3-difluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(CC(F)=CF)c(=O)n(CC(F)=CF)c(=O)n1CC(F)=CF
InChIInChI=1S/C12H9F6N3O3/c13-1-7(16)4-19-10(22)20(5-8(17)2-14)12(24)21(11(19)23)6-9(18)3-15/h1-3H,4-6H2
InChIKeyNZOLXGURNITPBN-UHFFFAOYSA-N
XLogP1.51
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 51.51
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(2,3-difluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(2,3-difluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 54138730) is 1,3,5-tris(2,3-difluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(2,3-difluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(2,3-difluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione is O=c1n(CC(F)=CF)c(=O)n(CC(F)=CF)c(=O)n1CC(F)=CF.
What is the InChIKey of 1,3,5-tris(2,3-difluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is NZOLXGURNITPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F6N3O3/c13-1-7(16)4-19-10(22)20(5-8(17)2-14)12(24)21(11(19)23)6-9(18)3-15/h1-3H,4-6H2.
What are the key properties of 1,3,5-tris(2,3-difluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(2,3-difluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 357.21 g/mol, XLogP of 1.51, 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(2,3-difluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 54138730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).