1,3-bis(2,2-difluoroethenyl)-5-(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C10H6F5N3O3 — CID 59941262

IUPAC1,3-bis(2,2-difluoroethenyl)-5-(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=C(F)Cn1c(=O)n(C=C(F)F)c(=O)n(C=C(F)F)c1=O
InChIInChI=1S/C10H6F5N3O3/c1-5(11)2-16-8(19)17(3-6(12)13)10(21)18(9(16)20)4-7(14)15/h3-4H,1-2H2
InChIKeyONSIXSHJPKKFLT-UHFFFAOYSA-N
MW311.17 g/mol
LogP1.04
Rot. Bonds4

About 1,3-bis(2,2-difluoroethenyl)-5-(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione

1,3-bis(2,2-difluoroethenyl)-5-(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 59941262) has the molecular formula C10H6F5N3O3 and a molecular weight of 311.17 g/mol. Its IUPAC name is 1,3-bis(2,2-difluoroethenyl)-5-(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(2,2-difluoroethenyl)-5-(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID59941262
Molecular FormulaC10H6F5N3O3
Molecular Weight311.17 g/mol
Exact Mass311.03
IUPAC Name1,3-bis(2,2-difluoroethenyl)-5-(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=C(F)Cn1c(=O)n(C=C(F)F)c(=O)n(C=C(F)F)c1=O
InChIInChI=1S/C10H6F5N3O3/c1-5(11)2-16-8(19)17(3-6(12)13)10(21)18(9(16)20)4-7(14)15/h3-4H,1-2H2
InChIKeyONSIXSHJPKKFLT-UHFFFAOYSA-N
XLogP1.04
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,2-difluoroethenyl)-5-(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(2,2-difluoroethenyl)-5-(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 59941262) is 1,3-bis(2,2-difluoroethenyl)-5-(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(2,2-difluoroethenyl)-5-(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(2,2-difluoroethenyl)-5-(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=C(F)Cn1c(=O)n(C=C(F)F)c(=O)n(C=C(F)F)c1=O.
What is the InChIKey of 1,3-bis(2,2-difluoroethenyl)-5-(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is ONSIXSHJPKKFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F5N3O3/c1-5(11)2-16-8(19)17(3-6(12)13)10(21)18(9(16)20)4-7(14)15/h3-4H,1-2H2.
What are the key properties of 1,3-bis(2,2-difluoroethenyl)-5-(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1,3-bis(2,2-difluoroethenyl)-5-(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 311.17 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,2-difluoroethenyl)-5-(2-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 59941262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).