2-(2,4-dimethoxypyrimidin-5-yl)-2,2-difluoroacetic acid

C8H8F2N2O4 — CID 84726880

IUPAC2-(2,4-dimethoxypyrimidin-5-yl)-2,2-difluoroacetic acid
SMILESCOc1ncc(C(F)(F)C(=O)O)c(OC)n1
InChIInChI=1S/C8H8F2N2O4/c1-15-5-4(8(9,10)6(13)14)3-11-7(12-5)16-2/h3H,1-2H3,(H,13,14)
InChIKeyZWBRFEYNRVFJPZ-UHFFFAOYSA-N
MW234.16 g/mol
LogP0.67
Rot. Bonds4

About 2-(2,4-dimethoxypyrimidin-5-yl)-2,2-difluoroacetic acid

2-(2,4-dimethoxypyrimidin-5-yl)-2,2-difluoroacetic acid (PubChem CID 84726880) has the molecular formula C8H8F2N2O4 and a molecular weight of 234.16 g/mol. Its IUPAC name is 2-(2,4-dimethoxypyrimidin-5-yl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxypyrimidin-5-yl)-2,2-difluoroacetic acid
PubChem CID84726880
Molecular FormulaC8H8F2N2O4
Molecular Weight234.16 g/mol
Exact Mass234.05
IUPAC Name2-(2,4-dimethoxypyrimidin-5-yl)-2,2-difluoroacetic acid
SMILESCOc1ncc(C(F)(F)C(=O)O)c(OC)n1
InChIInChI=1S/C8H8F2N2O4/c1-15-5-4(8(9,10)6(13)14)3-11-7(12-5)16-2/h3H,1-2H3,(H,13,14)
InChIKeyZWBRFEYNRVFJPZ-UHFFFAOYSA-N
XLogP0.67
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxypyrimidin-5-yl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(2,4-dimethoxypyrimidin-5-yl)-2,2-difluoroacetic acid (CID 84726880) is 2-(2,4-dimethoxypyrimidin-5-yl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(2,4-dimethoxypyrimidin-5-yl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(2,4-dimethoxypyrimidin-5-yl)-2,2-difluoroacetic acid is COc1ncc(C(F)(F)C(=O)O)c(OC)n1.
What is the InChIKey of 2-(2,4-dimethoxypyrimidin-5-yl)-2,2-difluoroacetic acid?
The InChIKey is ZWBRFEYNRVFJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O4/c1-15-5-4(8(9,10)6(13)14)3-11-7(12-5)16-2/h3H,1-2H3,(H,13,14).
What are the key properties of 2-(2,4-dimethoxypyrimidin-5-yl)-2,2-difluoroacetic acid?
2-(2,4-dimethoxypyrimidin-5-yl)-2,2-difluoroacetic acid has a molecular weight of 234.16 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxypyrimidin-5-yl)-2,2-difluoroacetic acid is sourced from PubChem (CID 84726880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).