2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetic acid

C7H9FN2O3 — CID 116800085

IUPAC2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetic acid
SMILESCCn1cc(OC(F)C(=O)O)cn1
InChIInChI=1S/C7H9FN2O3/c1-2-10-4-5(3-9-10)13-6(8)7(11)12/h3-4,6H,2H2,1H3,(H,11,12)
InChIKeyYHGISQKBQFDRKI-UHFFFAOYSA-N
MW188.16 g/mol
LogP0.66
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetic acid

2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetic acid (PubChem CID 116800085) has the molecular formula C7H9FN2O3 and a molecular weight of 188.16 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetic acid
PubChem CID116800085
Molecular FormulaC7H9FN2O3
Molecular Weight188.16 g/mol
Exact Mass188.06
IUPAC Name2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetic acid
SMILESCCn1cc(OC(F)C(=O)O)cn1
InChIInChI=1S/C7H9FN2O3/c1-2-10-4-5(3-9-10)13-6(8)7(11)12/h3-4,6H,2H2,1H3,(H,11,12)
InChIKeyYHGISQKBQFDRKI-UHFFFAOYSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetic acid?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetic acid (CID 116800085) is 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetic acid.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetic acid?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetic acid is CCn1cc(OC(F)C(=O)O)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetic acid?
The InChIKey is YHGISQKBQFDRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3/c1-2-10-4-5(3-9-10)13-6(8)7(11)12/h3-4,6H,2H2,1H3,(H,11,12).
What are the key properties of 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetic acid?
2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetic acid has a molecular weight of 188.16 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetic acid is sourced from PubChem (CID 116800085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).