ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate

C9H13FN2O3 — CID 116800069

IUPACethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate
SMILESCCOC(=O)C(F)Oc1cnn(CC)c1
InChIInChI=1S/C9H13FN2O3/c1-3-12-6-7(5-11-12)15-8(10)9(13)14-4-2/h5-6,8H,3-4H2,1-2H3
InChIKeyRNMJEZDQOHSFRJ-UHFFFAOYSA-N
MW216.21 g/mol
LogP1.14
Rot. Bonds5

About ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate

ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate (PubChem CID 116800069) has the molecular formula C9H13FN2O3 and a molecular weight of 216.21 g/mol. Its IUPAC name is ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate
PubChem CID116800069
Molecular FormulaC9H13FN2O3
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Nameethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate
SMILESCCOC(=O)C(F)Oc1cnn(CC)c1
InChIInChI=1S/C9H13FN2O3/c1-3-12-6-7(5-11-12)15-8(10)9(13)14-4-2/h5-6,8H,3-4H2,1-2H3
InChIKeyRNMJEZDQOHSFRJ-UHFFFAOYSA-N
XLogP1.14
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylpyrazol-4-yl)oxy-N-methylpropanamide
CID 116804462
ethyl (E)-4-(1-ethylpyrazol-4-yl)oxybut-2-enoate
CID 116800100
2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine
CID 116803166
N-cyclopropyl-2-(1-ethylpyrazol-4-yl)oxypropanamide
CID 116804714
2-(1-propylpyrazol-4-yl)oxybutanamide
CID 116804832
2-(1-ethylpyrazol-4-yl)oxypropanenitrile
CID 116804628
ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate
CID 79356641
ethyl (E)-3-(1-ethylpyrazol-4-yl)prop-2-enoate
CID 118170825
1-ethyl-4-hexoxypyrazole
CID 116804751
ethyl 3-oxo-4-(4-propoxypyrazol-1-yl)butanoate
CID 114273816
ethyl 2-fluoro-2-(3-fluorophenoxy)acetate
CID 79356645
methyl 2-(1-ethylpyrazol-4-yl)oxyacetate
CID 116800028

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate?
The IUPAC name of ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate (CID 116800069) is ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate?
The canonical SMILES for ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate is CCOC(=O)C(F)Oc1cnn(CC)c1.
What is the InChIKey of ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate?
The InChIKey is RNMJEZDQOHSFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3/c1-3-12-6-7(5-11-12)15-8(10)9(13)14-4-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate?
ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate has a molecular weight of 216.21 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate is sourced from PubChem (CID 116800069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).