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

C10H9F4N3O3 — CID 20549012

IUPAC1,3-bis(3,3-difluoroprop-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(CC=C(F)F)c(=O)n(CC=C(F)F)c1=O
InChIInChI=1S/C10H9F4N3O3/c1-15-8(18)16(4-2-6(11)12)10(20)17(9(15)19)5-3-7(13)14/h2-3H,4-5H2,1H3
InChIKeyDYIUHNDFOOYJAL-UHFFFAOYSA-N
MW295.19 g/mol
LogP0.27
Rot. Bonds4

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

1,3-bis(3,3-difluoroprop-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 20549012) has the molecular formula C10H9F4N3O3 and a molecular weight of 295.19 g/mol. Its IUPAC name is 1,3-bis(3,3-difluoroprop-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(3,3-difluoroprop-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
PubChem CID20549012
Molecular FormulaC10H9F4N3O3
Molecular Weight295.19 g/mol
Exact Mass295.06
IUPAC Name1,3-bis(3,3-difluoroprop-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(CC=C(F)F)c(=O)n(CC=C(F)F)c1=O
InChIInChI=1S/C10H9F4N3O3/c1-15-8(18)16(4-2-6(11)12)10(20)17(9(15)19)5-3-7(13)14/h2-3H,4-5H2,1H3
InChIKeyDYIUHNDFOOYJAL-UHFFFAOYSA-N
XLogP0.27
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,3-difluoroprop-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(3,3-difluoroprop-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione (CID 20549012) is 1,3-bis(3,3-difluoroprop-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(3,3-difluoroprop-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(3,3-difluoroprop-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione is Cn1c(=O)n(CC=C(F)F)c(=O)n(CC=C(F)F)c1=O.
What is the InChIKey of 1,3-bis(3,3-difluoroprop-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is DYIUHNDFOOYJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N3O3/c1-15-8(18)16(4-2-6(11)12)10(20)17(9(15)19)5-3-7(13)14/h2-3H,4-5H2,1H3.
What are the key properties of 1,3-bis(3,3-difluoroprop-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?
1,3-bis(3,3-difluoroprop-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 295.19 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,3-difluoroprop-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 20549012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).