2,2-difluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid

C8H10F2N2O3 — CID 116799906

IUPAC2,2-difluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid
SMILESCC(C)n1cc(OC(F)(F)C(=O)O)cn1
InChIInChI=1S/C8H10F2N2O3/c1-5(2)12-4-6(3-11-12)15-8(9,10)7(13)14/h3-5H,1-2H3,(H,13,14)
InChIKeyPSWWJYDARJERQN-UHFFFAOYSA-N
MW220.17 g/mol
LogP1.52
Rot. Bonds4

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

2,2-difluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid (PubChem CID 116799906) has the molecular formula C8H10F2N2O3 and a molecular weight of 220.17 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid
PubChem CID116799906
Molecular FormulaC8H10F2N2O3
Molecular Weight220.17 g/mol
Exact Mass220.07
IUPAC Name2,2-difluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid
SMILESCC(C)n1cc(OC(F)(F)C(=O)O)cn1
InChIInChI=1S/C8H10F2N2O3/c1-5(2)12-4-6(3-11-12)15-8(9,10)7(13)14/h3-5H,1-2H3,(H,13,14)
InChIKeyPSWWJYDARJERQN-UHFFFAOYSA-N
XLogP1.52
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid?
The IUPAC name of 2,2-difluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid (CID 116799906) is 2,2-difluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid.
What is the SMILES notation for 2,2-difluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid?
The canonical SMILES for 2,2-difluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid is CC(C)n1cc(OC(F)(F)C(=O)O)cn1.
What is the InChIKey of 2,2-difluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid?
The InChIKey is PSWWJYDARJERQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O3/c1-5(2)12-4-6(3-11-12)15-8(9,10)7(13)14/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2,2-difluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid?
2,2-difluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid has a molecular weight of 220.17 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid is sourced from PubChem (CID 116799906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).