2-(5-ethylpyrimidin-2-yl)-2,2-difluoroacetate

C8H7F2N2O2- — CID 150997430

IUPAC2-(5-ethylpyrimidin-2-yl)-2,2-difluoroacetate
SMILESCCc1cnc(C(F)(F)C(=O)[O-])nc1
InChIInChI=1S/C8H8F2N2O2/c1-2-5-3-11-6(12-4-5)8(9,10)7(13)14/h3-4H,2H2,1H3,(H,13,14)/p-1
InChIKeyLTJUXRZANFUNDY-UHFFFAOYSA-M
MW201.15 g/mol
LogP-0.12
Rot. Bonds3

About 2-(5-ethylpyrimidin-2-yl)-2,2-difluoroacetate

2-(5-ethylpyrimidin-2-yl)-2,2-difluoroacetate (PubChem CID 150997430) has the molecular formula C8H7F2N2O2- and a molecular weight of 201.15 g/mol. Its IUPAC name is 2-(5-ethylpyrimidin-2-yl)-2,2-difluoroacetate.

Molecular Properties

Compound Name2-(5-ethylpyrimidin-2-yl)-2,2-difluoroacetate
PubChem CID150997430
Molecular FormulaC8H7F2N2O2-
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name2-(5-ethylpyrimidin-2-yl)-2,2-difluoroacetate
SMILESCCc1cnc(C(F)(F)C(=O)[O-])nc1
InChIInChI=1S/C8H8F2N2O2/c1-2-5-3-11-6(12-4-5)8(9,10)7(13)14/h3-4H,2H2,1H3,(H,13,14)/p-1
InChIKeyLTJUXRZANFUNDY-UHFFFAOYSA-M
XLogP-0.12
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-ethylpyrimidin-2-yl)-2,2-difluoroacetate 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-(5-ethylpyrimidin-2-yl)-2,2-difluoroacetate?
The IUPAC name of 2-(5-ethylpyrimidin-2-yl)-2,2-difluoroacetate (CID 150997430) is 2-(5-ethylpyrimidin-2-yl)-2,2-difluoroacetate.
What is the SMILES notation for 2-(5-ethylpyrimidin-2-yl)-2,2-difluoroacetate?
The canonical SMILES for 2-(5-ethylpyrimidin-2-yl)-2,2-difluoroacetate is CCc1cnc(C(F)(F)C(=O)[O-])nc1.
What is the InChIKey of 2-(5-ethylpyrimidin-2-yl)-2,2-difluoroacetate?
The InChIKey is LTJUXRZANFUNDY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8F2N2O2/c1-2-5-3-11-6(12-4-5)8(9,10)7(13)14/h3-4H,2H2,1H3,(H,13,14)/p-1.
What are the key properties of 2-(5-ethylpyrimidin-2-yl)-2,2-difluoroacetate?
2-(5-ethylpyrimidin-2-yl)-2,2-difluoroacetate has a molecular weight of 201.15 g/mol, XLogP of -0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylpyrimidin-2-yl)-2,2-difluoroacetate is sourced from PubChem (CID 150997430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).