2-(2,6-difluorophenoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid

C14H12F2N2O4 — CID 19745768

IUPAC2-(2,6-difluorophenoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid
SMILESCc1cc(C)nc(OC(Oc2c(F)cccc2F)C(=O)O)n1
InChIInChI=1S/C14H12F2N2O4/c1-7-6-8(2)18-14(17-7)22-13(12(19)20)21-11-9(15)4-3-5-10(11)16/h3-6,13H,1-2H3,(H,19,20)
InChIKeyRVSHPBATCOBQLY-UHFFFAOYSA-N
MW310.26 g/mol
LogP2.24
Rot. Bonds5

About 2-(2,6-difluorophenoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid

2-(2,6-difluorophenoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid (PubChem CID 19745768) has the molecular formula C14H12F2N2O4 and a molecular weight of 310.26 g/mol. Its IUPAC name is 2-(2,6-difluorophenoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(2,6-difluorophenoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid
PubChem CID19745768
Molecular FormulaC14H12F2N2O4
Molecular Weight310.26 g/mol
Exact Mass310.08
IUPAC Name2-(2,6-difluorophenoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid
SMILESCc1cc(C)nc(OC(Oc2c(F)cccc2F)C(=O)O)n1
InChIInChI=1S/C14H12F2N2O4/c1-7-6-8(2)18-14(17-7)22-13(12(19)20)21-11-9(15)4-3-5-10(11)16/h3-6,13H,1-2H3,(H,19,20)
InChIKeyRVSHPBATCOBQLY-UHFFFAOYSA-N
XLogP2.24
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(2,6-difluorophenoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid?
The IUPAC name of 2-(2,6-difluorophenoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid (CID 19745768) is 2-(2,6-difluorophenoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid.
What is the SMILES notation for 2-(2,6-difluorophenoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid?
The canonical SMILES for 2-(2,6-difluorophenoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid is Cc1cc(C)nc(OC(Oc2c(F)cccc2F)C(=O)O)n1.
What is the InChIKey of 2-(2,6-difluorophenoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid?
The InChIKey is RVSHPBATCOBQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O4/c1-7-6-8(2)18-14(17-7)22-13(12(19)20)21-11-9(15)4-3-5-10(11)16/h3-6,13H,1-2H3,(H,19,20).
What are the key properties of 2-(2,6-difluorophenoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid?
2-(2,6-difluorophenoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid has a molecular weight of 310.26 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid is sourced from PubChem (CID 19745768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).