ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate

C10H11F2NO2 — CID 83853858

IUPACethyl 3,3-difluoro-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)CC(F)(F)c1ccccn1
InChIInChI=1S/C10H11F2NO2/c1-2-15-9(14)7-10(11,12)8-5-3-4-6-13-8/h3-6H,2,7H2,1H3
InChIKeyJKLYLQJOKIIBAS-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.13
Rot. Bonds4

About ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate

ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate (PubChem CID 83853858) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 3,3-difluoro-3-pyridin-2-ylpropanoate
PubChem CID83853858
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Nameethyl 3,3-difluoro-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)CC(F)(F)c1ccccn1
InChIInChI=1S/C10H11F2NO2/c1-2-15-9(14)7-10(11,12)8-5-3-4-6-13-8/h3-6H,2,7H2,1H3
InChIKeyJKLYLQJOKIIBAS-UHFFFAOYSA-N
XLogP2.13
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate?
The IUPAC name of ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate (CID 83853858) is ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate is CCOC(=O)CC(F)(F)c1ccccn1.
What is the InChIKey of ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate?
The InChIKey is JKLYLQJOKIIBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-2-15-9(14)7-10(11,12)8-5-3-4-6-13-8/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate?
ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate has a molecular weight of 215.20 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 83853858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).