2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid

C8H11FN2O3 — CID 116799942

IUPAC2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid
SMILESCC(C)n1cc(OC(F)C(=O)O)cn1
InChIInChI=1S/C8H11FN2O3/c1-5(2)11-4-6(3-10-11)14-7(9)8(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKeyYAMGKPSPLMQQER-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.22
Rot. Bonds4

About 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid

2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid (PubChem CID 116799942) has the molecular formula C8H11FN2O3 and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid
PubChem CID116799942
Molecular FormulaC8H11FN2O3
Molecular Weight202.19 g/mol
Exact Mass202.08
IUPAC Name2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid
SMILESCC(C)n1cc(OC(F)C(=O)O)cn1
InChIInChI=1S/C8H11FN2O3/c1-5(2)11-4-6(3-10-11)14-7(9)8(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKeyYAMGKPSPLMQQER-UHFFFAOYSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid?
The IUPAC name of 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid (CID 116799942) is 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid.
What is the SMILES notation for 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid?
The canonical SMILES for 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid is CC(C)n1cc(OC(F)C(=O)O)cn1.
What is the InChIKey of 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid?
The InChIKey is YAMGKPSPLMQQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3/c1-5(2)11-4-6(3-10-11)14-7(9)8(12)13/h3-5,7H,1-2H3,(H,12,13).
What are the key properties of 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid?
2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid has a molecular weight of 202.19 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid is sourced from PubChem (CID 116799942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).