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

C12H9F6N3O3 — CID 21257257

IUPAC1,3,5-tris[(Z)-2,3-difluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(C/C(F)=C/F)c(=O)n(C/C(F)=C/F)c(=O)n1C/C(F)=C/F
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/b7-1-,8-2-,9-3-
InChIKeyNZOLXGURNITPBN-ILVDLUEPSA-N
MW357.21 g/mol
LogP1.51
Rot. Bonds6

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

1,3,5-tris[(Z)-2,3-difluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 21257257) has the molecular formula C12H9F6N3O3 and a molecular weight of 357.21 g/mol. Its IUPAC name is 1,3,5-tris[(Z)-2,3-difluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[(Z)-2,3-difluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID21257257
Molecular FormulaC12H9F6N3O3
Molecular Weight357.21 g/mol
Exact Mass357.05
IUPAC Name1,3,5-tris[(Z)-2,3-difluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(C/C(F)=C/F)c(=O)n(C/C(F)=C/F)c(=O)n1C/C(F)=C/F
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/b7-1-,8-2-,9-3-
InChIKeyNZOLXGURNITPBN-ILVDLUEPSA-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

Analyze 1,3,5-tris[(Z)-2,3-difluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione with MolForge

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Related Compounds

Triallyl isocyanurate
CID 13931
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3,3-difluoro-2-propen-1-yl)-
CID 117012
1,3,5-Tris(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 13761107
1,3,5-Tris(2,3,3-trifluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 18008331
1,3-Bis(3,3-difluoroprop-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 20549012
1,3-Bis(3,3-difluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 20549013
1,3,5-tris[(E)-3-fluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione
CID 21257259
1-(1-Fluoroprop-2-enyl)-3-(1,1,2,3,3-pentafluoroprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 53817058
1-(1-Fluoroprop-2-enyl)-3-prop-2-enyl-5-(trifluoromethyl)-1,3,5-triazinane-2,4,6-trione
CID 53960964
1,3,5-Tris(2,3-difluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 54138730
1,3,5-Tris(3-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 54384438
1,3-Bis(2,2-difluoroethenyl)-5-(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 59941262

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[(Z)-2,3-difluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[(Z)-2,3-difluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione (CID 21257257) is 1,3,5-tris[(Z)-2,3-difluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[(Z)-2,3-difluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[(Z)-2,3-difluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione is O=c1n(C/C(F)=C/F)c(=O)n(C/C(F)=C/F)c(=O)n1C/C(F)=C/F.
What is the InChIKey of 1,3,5-tris[(Z)-2,3-difluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is NZOLXGURNITPBN-ILVDLUEPSA-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/b7-1-,8-2-,9-3-.
What are the key properties of 1,3,5-tris[(Z)-2,3-difluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[(Z)-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[(Z)-2,3-difluoroprop-2-enyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 21257257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).