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

C12H11F2N3O2 — CID 171522270

IUPAC6-[2-(2,3-difluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione
SMILESCC(Cc1nc(=O)[nH]c(=O)[nH]1)c1cccc(F)c1F
InChIInChI=1S/C12H11F2N3O2/c1-6(7-3-2-4-8(13)10(7)14)5-9-15-11(18)17-12(19)16-9/h2-4,6H,5H2,1H3,(H2,15,16,17,18,19)
InChIKeyXYENBQLJIXONHR-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.08
Rot. Bonds3

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

6-[2-(2,3-difluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione (PubChem CID 171522270) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is 6-[2-(2,3-difluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-[2-(2,3-difluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione
PubChem CID171522270
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC Name6-[2-(2,3-difluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione
SMILESCC(Cc1nc(=O)[nH]c(=O)[nH]1)c1cccc(F)c1F
InChIInChI=1S/C12H11F2N3O2/c1-6(7-3-2-4-8(13)10(7)14)5-9-15-11(18)17-12(19)16-9/h2-4,6H,5H2,1H3,(H2,15,16,17,18,19)
InChIKeyXYENBQLJIXONHR-UHFFFAOYSA-N
XLogP1.08
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3-difluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-[2-(2,3-difluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione (CID 171522270) is 6-[2-(2,3-difluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-[2-(2,3-difluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-[2-(2,3-difluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione is CC(Cc1nc(=O)[nH]c(=O)[nH]1)c1cccc(F)c1F.
What is the InChIKey of 6-[2-(2,3-difluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione?
The InChIKey is XYENBQLJIXONHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c1-6(7-3-2-4-8(13)10(7)14)5-9-15-11(18)17-12(19)16-9/h2-4,6H,5H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-[2-(2,3-difluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione?
6-[2-(2,3-difluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione has a molecular weight of 267.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3-difluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 171522270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).