ethyl 2-(4-chloro-6-methylpyrimidin-2-yl)-2,2-difluoroacetate

C9H9ClF2N2O2 — CID 170640782

IUPACethyl 2-(4-chloro-6-methylpyrimidin-2-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1nc(C)cc(Cl)n1
InChIInChI=1S/C9H9ClF2N2O2/c1-3-16-8(15)9(11,12)7-13-5(2)4-6(10)14-7/h4H,3H2,1-2H3
InChIKeyVUCUGYYYPMQLRN-UHFFFAOYSA-N
MW250.63 g/mol
LogP2.09
Rot. Bonds3

About ethyl 2-(4-chloro-6-methylpyrimidin-2-yl)-2,2-difluoroacetate

ethyl 2-(4-chloro-6-methylpyrimidin-2-yl)-2,2-difluoroacetate (PubChem CID 170640782) has the molecular formula C9H9ClF2N2O2 and a molecular weight of 250.63 g/mol. Its IUPAC name is ethyl 2-(4-chloro-6-methylpyrimidin-2-yl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-6-methylpyrimidin-2-yl)-2,2-difluoroacetate
PubChem CID170640782
Molecular FormulaC9H9ClF2N2O2
Molecular Weight250.63 g/mol
Exact Mass250.03
IUPAC Nameethyl 2-(4-chloro-6-methylpyrimidin-2-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1nc(C)cc(Cl)n1
InChIInChI=1S/C9H9ClF2N2O2/c1-3-16-8(15)9(11,12)7-13-5(2)4-6(10)14-7/h4H,3H2,1-2H3
InChIKeyVUCUGYYYPMQLRN-UHFFFAOYSA-N
XLogP2.09
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.63
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-chloro-6-methylpyrimidin-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 ethyl 2-(4-chloro-6-methylpyrimidin-2-yl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(4-chloro-6-methylpyrimidin-2-yl)-2,2-difluoroacetate (CID 170640782) is ethyl 2-(4-chloro-6-methylpyrimidin-2-yl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(4-chloro-6-methylpyrimidin-2-yl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(4-chloro-6-methylpyrimidin-2-yl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1nc(C)cc(Cl)n1.
What is the InChIKey of ethyl 2-(4-chloro-6-methylpyrimidin-2-yl)-2,2-difluoroacetate?
The InChIKey is VUCUGYYYPMQLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O2/c1-3-16-8(15)9(11,12)7-13-5(2)4-6(10)14-7/h4H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-chloro-6-methylpyrimidin-2-yl)-2,2-difluoroacetate?
ethyl 2-(4-chloro-6-methylpyrimidin-2-yl)-2,2-difluoroacetate has a molecular weight of 250.63 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-6-methylpyrimidin-2-yl)-2,2-difluoroacetate is sourced from PubChem (CID 170640782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).