ethyl 2,2-difluoro-2-(6-methyl-3-pyridinyl)acetate

C10H11F2NO2 — CID 63157509

IUPACethyl 2,2-difluoro-2-(6-methyl-3-pyridinyl)acetate
SMILESCCOC(=O)C(F)(F)c1ccc(C)nc1
InChIInChI=1S/C10H11F2NO2/c1-3-15-9(14)10(11,12)8-5-4-7(2)13-6-8/h4-6H,3H2,1-2H3
InChIKeyZXADEANRRGOUFQ-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.04
Rot. Bonds3

About ethyl 2,2-difluoro-2-(6-methyl-3-pyridinyl)acetate

ethyl 2,2-difluoro-2-(6-methyl-3-pyridinyl)acetate (PubChem CID 63157509) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(6-methyl-3-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(6-methyl-3-pyridinyl)acetate
PubChem CID63157509
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Nameethyl 2,2-difluoro-2-(6-methyl-3-pyridinyl)acetate
SMILESCCOC(=O)C(F)(F)c1ccc(C)nc1
InChIInChI=1S/C10H11F2NO2/c1-3-15-9(14)10(11,12)8-5-4-7(2)13-6-8/h4-6H,3H2,1-2H3
InChIKeyZXADEANRRGOUFQ-UHFFFAOYSA-N
XLogP2.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.04
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-(6-methyl-3-pyridinyl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(6-methyl-3-pyridinyl)acetate (CID 63157509) is ethyl 2,2-difluoro-2-(6-methyl-3-pyridinyl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(6-methyl-3-pyridinyl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(6-methyl-3-pyridinyl)acetate is CCOC(=O)C(F)(F)c1ccc(C)nc1.
What is the InChIKey of ethyl 2,2-difluoro-2-(6-methyl-3-pyridinyl)acetate?
The InChIKey is ZXADEANRRGOUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-3-15-9(14)10(11,12)8-5-4-7(2)13-6-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-(6-methyl-3-pyridinyl)acetate?
ethyl 2,2-difluoro-2-(6-methyl-3-pyridinyl)acetate has a molecular weight of 215.20 g/mol, XLogP of 2.04, 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-(6-methyl-3-pyridinyl)acetate is sourced from PubChem (CID 63157509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).