ethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate

C9H13FN2O2 — CID 79366518

IUPACethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)c1ccnn1CC
InChIInChI=1S/C9H13FN2O2/c1-3-12-7(5-6-11-12)8(10)9(13)14-4-2/h5-6,8H,3-4H2,1-2H3
InChIKeyXCXBXLJGXZDQDT-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.48
Rot. Bonds4

About ethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate

ethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate (PubChem CID 79366518) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is ethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate
PubChem CID79366518
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Nameethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)c1ccnn1CC
InChIInChI=1S/C9H13FN2O2/c1-3-12-7(5-6-11-12)8(10)9(13)14-4-2/h5-6,8H,3-4H2,1-2H3
InChIKeyXCXBXLJGXZDQDT-UHFFFAOYSA-N
XLogP1.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate (CID 79366518) is ethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate is CCOC(=O)C(F)c1ccnn1CC.
What is the InChIKey of ethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate?
The InChIKey is XCXBXLJGXZDQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-3-12-7(5-6-11-12)8(10)9(13)14-4-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate?
ethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate has a molecular weight of 200.21 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate is sourced from PubChem (CID 79366518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).