ethyl 2,2-difluoro-2-pyrazin-2-ylacetate

C8H8F2N2O2 — CID 63968584

IUPACethyl 2,2-difluoro-2-pyrazin-2-ylacetate
SMILESCCOC(=O)C(F)(F)c1cnccn1
InChIInChI=1S/C8H8F2N2O2/c1-2-14-7(13)8(9,10)6-5-11-3-4-12-6/h3-5H,2H2,1H3
InChIKeyDYNHLKURTDYCDD-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.13
Rot. Bonds3

About ethyl 2,2-difluoro-2-pyrazin-2-ylacetate

ethyl 2,2-difluoro-2-pyrazin-2-ylacetate (PubChem CID 63968584) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-pyrazin-2-ylacetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-pyrazin-2-ylacetate
PubChem CID63968584
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Nameethyl 2,2-difluoro-2-pyrazin-2-ylacetate
SMILESCCOC(=O)C(F)(F)c1cnccn1
InChIInChI=1S/C8H8F2N2O2/c1-2-14-7(13)8(9,10)6-5-11-3-4-12-6/h3-5H,2H2,1H3
InChIKeyDYNHLKURTDYCDD-UHFFFAOYSA-N
XLogP1.13
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Pyrazine acetic acid
CID 19797048
Ethyl 2-(3-chloropyrazin-2-yl)acetate
CID 53419385
Ethyl 5-chloro-2-pyrazineacetate
CID 15166486
Methyl 2-(pyrazin-2-yl)propanoate
CID 63968586
2,2-Difluoro-2-(pyrazin-2-yl)acetic acid
CID 63968794
Ethyl 2-amino-2-(pyrazin-2-yl)acetate hydrochloride
CID 68860044
Ethyl 2-(5-chloropyrazin-2-yl)-2,2-difluoroacetate
CID 89309519
Sodium 2-methyl-2-(pyrazin-2-yl)propanoate
CID 45598103
Lithium(1+) ion 2-(pyrazin-2-yl)acetate
CID 91654537
Lithium 2-(5-methylpyrazin-2-yl)acetate
CID 137963917
Lithium(1+) 2-[6-(trifluoromethyl)pyrazin-2-yl]acetate
CID 155943369
Ethyl 2-(5,6-dicyanopyrazin-2-yl)acetate
CID 134996714

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-pyrazin-2-ylacetate?
The IUPAC name of ethyl 2,2-difluoro-2-pyrazin-2-ylacetate (CID 63968584) is ethyl 2,2-difluoro-2-pyrazin-2-ylacetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-pyrazin-2-ylacetate?
The canonical SMILES for ethyl 2,2-difluoro-2-pyrazin-2-ylacetate is CCOC(=O)C(F)(F)c1cnccn1.
What is the InChIKey of ethyl 2,2-difluoro-2-pyrazin-2-ylacetate?
The InChIKey is DYNHLKURTDYCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-2-14-7(13)8(9,10)6-5-11-3-4-12-6/h3-5H,2H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-pyrazin-2-ylacetate?
ethyl 2,2-difluoro-2-pyrazin-2-ylacetate has a molecular weight of 202.16 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-pyrazin-2-ylacetate is sourced from PubChem (CID 63968584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).