ethyl 2,2-difluoro-2-(2-methylpyrazol-3-yl)acetate

C8H10F2N2O2 — CID 63963308

IUPACethyl 2,2-difluoro-2-(2-methylpyrazol-3-yl)acetate
SMILESCCOC(=O)C(F)(F)c1ccnn1C
InChIInChI=1S/C8H10F2N2O2/c1-3-14-7(13)8(9,10)6-4-5-11-12(6)2/h4-5H,3H2,1-2H3
InChIKeyJRFXEYLSJAWNBT-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.08
Rot. Bonds3

About ethyl 2,2-difluoro-2-(2-methylpyrazol-3-yl)acetate

ethyl 2,2-difluoro-2-(2-methylpyrazol-3-yl)acetate (PubChem CID 63963308) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(2-methylpyrazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(2-methylpyrazol-3-yl)acetate
PubChem CID63963308
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Nameethyl 2,2-difluoro-2-(2-methylpyrazol-3-yl)acetate
SMILESCCOC(=O)C(F)(F)c1ccnn1C
InChIInChI=1S/C8H10F2N2O2/c1-3-14-7(13)8(9,10)6-4-5-11-12(6)2/h4-5H,3H2,1-2H3
InChIKeyJRFXEYLSJAWNBT-UHFFFAOYSA-N
XLogP1.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(2-methylpyrazol-3-yl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(2-methylpyrazol-3-yl)acetate (CID 63963308) is ethyl 2,2-difluoro-2-(2-methylpyrazol-3-yl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(2-methylpyrazol-3-yl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(2-methylpyrazol-3-yl)acetate is CCOC(=O)C(F)(F)c1ccnn1C.
What is the InChIKey of ethyl 2,2-difluoro-2-(2-methylpyrazol-3-yl)acetate?
The InChIKey is JRFXEYLSJAWNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-3-14-7(13)8(9,10)6-4-5-11-12(6)2/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-(2-methylpyrazol-3-yl)acetate?
ethyl 2,2-difluoro-2-(2-methylpyrazol-3-yl)acetate has a molecular weight of 204.18 g/mol, XLogP of 1.08, 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-(2-methylpyrazol-3-yl)acetate is sourced from PubChem (CID 63963308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).