5-fluoro-3-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione

C15H14F2N2O3 — CID 2962690

IUPAC5-fluoro-3-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccccc1F
InChIInChI=1S/C15H14F2N2O3/c16-11-5-2-1-4-10(11)8-19-14(20)12(17)9-18(15(19)21)13-6-3-7-22-13/h1-2,4-5,9,13H,3,6-8H2
InChIKeyYINWBWZJNJPIHX-UHFFFAOYSA-N
MW308.28 g/mol
LogP1.65
Rot. Bonds3

About 5-fluoro-3-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione

5-fluoro-3-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 2962690) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is 5-fluoro-3-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione
PubChem CID2962690
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC Name5-fluoro-3-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccccc1F
InChIInChI=1S/C15H14F2N2O3/c16-11-5-2-1-4-10(11)8-19-14(20)12(17)9-18(15(19)21)13-6-3-7-22-13/h1-2,4-5,9,13H,3,6-8H2
InChIKeyYINWBWZJNJPIHX-UHFFFAOYSA-N
XLogP1.65
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione (CID 2962690) is 5-fluoro-3-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione is O=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccccc1F.
What is the InChIKey of 5-fluoro-3-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is YINWBWZJNJPIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3/c16-11-5-2-1-4-10(11)8-19-14(20)12(17)9-18(15(19)21)13-6-3-7-22-13/h1-2,4-5,9,13H,3,6-8H2.
What are the key properties of 5-fluoro-3-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione?
5-fluoro-3-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 308.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 2962690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).