ethyl 2,2-difluoro-2-pyridin-2-ylacetate

C9H9F2NO2 — CID 10631894

IUPACethyl 2,2-difluoro-2-pyridin-2-ylacetate
SMILESCCOC(=O)C(F)(F)c1ccccn1
InChIInChI=1S/C9H9F2NO2/c1-2-14-8(13)9(10,11)7-5-3-4-6-12-7/h3-6H,2H2,1H3
InChIKeyAHLZMMPDDACOQX-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.74
Rot. Bonds3

About ethyl 2,2-difluoro-2-pyridin-2-ylacetate

ethyl 2,2-difluoro-2-pyridin-2-ylacetate (PubChem CID 10631894) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-pyridin-2-ylacetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-pyridin-2-ylacetate
PubChem CID10631894
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Nameethyl 2,2-difluoro-2-pyridin-2-ylacetate
SMILESCCOC(=O)C(F)(F)c1ccccn1
InChIInChI=1S/C9H9F2NO2/c1-2-14-8(13)9(10,11)7-5-3-4-6-12-7/h3-6H,2H2,1H3
InChIKeyAHLZMMPDDACOQX-UHFFFAOYSA-N
XLogP1.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-pyridin-2-ylacetate?
The IUPAC name of ethyl 2,2-difluoro-2-pyridin-2-ylacetate (CID 10631894) is ethyl 2,2-difluoro-2-pyridin-2-ylacetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-pyridin-2-ylacetate?
The canonical SMILES for ethyl 2,2-difluoro-2-pyridin-2-ylacetate is CCOC(=O)C(F)(F)c1ccccn1.
What is the InChIKey of ethyl 2,2-difluoro-2-pyridin-2-ylacetate?
The InChIKey is AHLZMMPDDACOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-2-14-8(13)9(10,11)7-5-3-4-6-12-7/h3-6H,2H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-pyridin-2-ylacetate?
ethyl 2,2-difluoro-2-pyridin-2-ylacetate has a molecular weight of 201.17 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-pyridin-2-ylacetate is sourced from PubChem (CID 10631894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).