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

C12H12FN3O2 — CID 171522471

IUPAC6-[2-(2-fluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione
SMILESCC(Cc1nc(=O)[nH]c(=O)[nH]1)c1ccccc1F
InChIInChI=1S/C12H12FN3O2/c1-7(8-4-2-3-5-9(8)13)6-10-14-11(17)16-12(18)15-10/h2-5,7H,6H2,1H3,(H2,14,15,16,17,18)
InChIKeyINXLUQLZXXDLDF-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.94
Rot. Bonds3

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

6-[2-(2-fluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione (PubChem CID 171522471) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 6-[2-(2-fluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-[2-(2-fluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione
PubChem CID171522471
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name6-[2-(2-fluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione
SMILESCC(Cc1nc(=O)[nH]c(=O)[nH]1)c1ccccc1F
InChIInChI=1S/C12H12FN3O2/c1-7(8-4-2-3-5-9(8)13)6-10-14-11(17)16-12(18)15-10/h2-5,7H,6H2,1H3,(H2,14,15,16,17,18)
InChIKeyINXLUQLZXXDLDF-UHFFFAOYSA-N
XLogP0.94
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-fluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-[2-(2-fluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione (CID 171522471) is 6-[2-(2-fluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-[2-(2-fluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-[2-(2-fluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione is CC(Cc1nc(=O)[nH]c(=O)[nH]1)c1ccccc1F.
What is the InChIKey of 6-[2-(2-fluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione?
The InChIKey is INXLUQLZXXDLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-7(8-4-2-3-5-9(8)13)6-10-14-11(17)16-12(18)15-10/h2-5,7H,6H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 6-[2-(2-fluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione?
6-[2-(2-fluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione has a molecular weight of 249.25 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-fluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 171522471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).