2-[4-(2,2-difluoroethoxy)pyrazol-1-yl]acetic acid

C7H8F2N2O3 — CID 138986049

IUPAC2-[4-(2,2-difluoroethoxy)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(OCC(F)F)cn1
InChIInChI=1S/C7H8F2N2O3/c8-6(9)4-14-5-1-10-11(2-5)3-7(12)13/h1-2,6H,3-4H2,(H,12,13)
InChIKeyXTOASTANNURYRY-UHFFFAOYSA-N
MW206.15 g/mol
LogP0.61
Rot. Bonds5

About 2-[4-(2,2-difluoroethoxy)pyrazol-1-yl]acetic acid

2-[4-(2,2-difluoroethoxy)pyrazol-1-yl]acetic acid (PubChem CID 138986049) has the molecular formula C7H8F2N2O3 and a molecular weight of 206.15 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethoxy)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethoxy)pyrazol-1-yl]acetic acid
PubChem CID138986049
Molecular FormulaC7H8F2N2O3
Molecular Weight206.15 g/mol
Exact Mass206.05
IUPAC Name2-[4-(2,2-difluoroethoxy)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(OCC(F)F)cn1
InChIInChI=1S/C7H8F2N2O3/c8-6(9)4-14-5-1-10-11(2-5)3-7(12)13/h1-2,6H,3-4H2,(H,12,13)
InChIKeyXTOASTANNURYRY-UHFFFAOYSA-N
XLogP0.61
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethoxy)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,2-difluoroethoxy)pyrazol-1-yl]acetic acid (CID 138986049) is 2-[4-(2,2-difluoroethoxy)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,2-difluoroethoxy)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,2-difluoroethoxy)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(OCC(F)F)cn1.
What is the InChIKey of 2-[4-(2,2-difluoroethoxy)pyrazol-1-yl]acetic acid?
The InChIKey is XTOASTANNURYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O3/c8-6(9)4-14-5-1-10-11(2-5)3-7(12)13/h1-2,6H,3-4H2,(H,12,13).
What are the key properties of 2-[4-(2,2-difluoroethoxy)pyrazol-1-yl]acetic acid?
2-[4-(2,2-difluoroethoxy)pyrazol-1-yl]acetic acid has a molecular weight of 206.15 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethoxy)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 138986049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).