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

C6H6FN3O3 — CID 150001579

IUPAC1-(3-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(CC=CF)c(=O)[nH]1
InChIInChI=1S/C6H6FN3O3/c7-2-1-3-10-5(12)8-4(11)9-6(10)13/h1-2H,3H2,(H2,8,9,11,12,13)
InChIKeyDBKDEARNWSLETJ-UHFFFAOYSA-N
MW187.13 g/mol
LogP-1.29
Rot. Bonds2

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

1-(3-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 150001579) has the molecular formula C6H6FN3O3 and a molecular weight of 187.13 g/mol. Its IUPAC name is 1-(3-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID150001579
Molecular FormulaC6H6FN3O3
Molecular Weight187.13 g/mol
Exact Mass187.04
IUPAC Name1-(3-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(CC=CF)c(=O)[nH]1
InChIInChI=1S/C6H6FN3O3/c7-2-1-3-10-5(12)8-4(11)9-6(10)13/h1-2H,3H2,(H2,8,9,11,12,13)
InChIKeyDBKDEARNWSLETJ-UHFFFAOYSA-N
XLogP-1.29
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(3-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 150001579) is 1-(3-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(3-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(3-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione is O=c1[nH]c(=O)n(CC=CF)c(=O)[nH]1.
What is the InChIKey of 1-(3-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is DBKDEARNWSLETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3O3/c7-2-1-3-10-5(12)8-4(11)9-6(10)13/h1-2H,3H2,(H2,8,9,11,12,13).
What are the key properties of 1-(3-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1-(3-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 187.13 g/mol, XLogP of -1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 150001579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).