6-(4-fluorophenyl)-1H-1,3,5-triazine-2,4-dione

C9H6FN3O2 — CID 53215420

IUPAC6-(4-fluorophenyl)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(-c2ccc(F)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H6FN3O2/c10-6-3-1-5(2-4-6)7-11-8(14)13-9(15)12-7/h1-4H,(H2,11,12,13,14,15)
InChIKeyLEUMIYNJGAAHRQ-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.26
Rot. Bonds1

About 6-(4-fluorophenyl)-1H-1,3,5-triazine-2,4-dione

6-(4-fluorophenyl)-1H-1,3,5-triazine-2,4-dione (PubChem CID 53215420) has the molecular formula C9H6FN3O2 and a molecular weight of 207.16 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1H-1,3,5-triazine-2,4-dione
PubChem CID53215420
Molecular FormulaC9H6FN3O2
Molecular Weight207.16 g/mol
Exact Mass207.04
IUPAC Name6-(4-fluorophenyl)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(-c2ccc(F)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H6FN3O2/c10-6-3-1-5(2-4-6)7-11-8(14)13-9(15)12-7/h1-4H,(H2,11,12,13,14,15)
InChIKeyLEUMIYNJGAAHRQ-UHFFFAOYSA-N
XLogP0.26
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-(4-fluorophenyl)-1H-1,3,5-triazine-2,4-dione (CID 53215420) is 6-(4-fluorophenyl)-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-(4-fluorophenyl)-1H-1,3,5-triazine-2,4-dione is O=c1nc(-c2ccc(F)cc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(4-fluorophenyl)-1H-1,3,5-triazine-2,4-dione?
The InChIKey is LEUMIYNJGAAHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O2/c10-6-3-1-5(2-4-6)7-11-8(14)13-9(15)12-7/h1-4H,(H2,11,12,13,14,15).
What are the key properties of 6-(4-fluorophenyl)-1H-1,3,5-triazine-2,4-dione?
6-(4-fluorophenyl)-1H-1,3,5-triazine-2,4-dione has a molecular weight of 207.16 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 53215420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).