2-(2,2-difluoroethoxy)pyrazole-3-carboxylic acid

C6H6F2N2O3 — CID 151667211

IUPAC2-(2,2-difluoroethoxy)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1OCC(F)F
InChIInChI=1S/C6H6F2N2O3/c7-5(8)3-13-10-4(6(11)12)1-2-9-10/h1-2,5H,3H2,(H,11,12)
InChIKeyQXTZWHXWSMTFSF-UHFFFAOYSA-N
MW192.12 g/mol
LogP0.28
Rot. Bonds4

About 2-(2,2-difluoroethoxy)pyrazole-3-carboxylic acid

2-(2,2-difluoroethoxy)pyrazole-3-carboxylic acid (PubChem CID 151667211) has the molecular formula C6H6F2N2O3 and a molecular weight of 192.12 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)pyrazole-3-carboxylic acid
PubChem CID151667211
Molecular FormulaC6H6F2N2O3
Molecular Weight192.12 g/mol
Exact Mass192.03
IUPAC Name2-(2,2-difluoroethoxy)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1OCC(F)F
InChIInChI=1S/C6H6F2N2O3/c7-5(8)3-13-10-4(6(11)12)1-2-9-10/h1-2,5H,3H2,(H,11,12)
InChIKeyQXTZWHXWSMTFSF-UHFFFAOYSA-N
XLogP0.28
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)pyrazole-3-carboxylic acid?
The IUPAC name of 2-(2,2-difluoroethoxy)pyrazole-3-carboxylic acid (CID 151667211) is 2-(2,2-difluoroethoxy)pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(2,2-difluoroethoxy)pyrazole-3-carboxylic acid?
The canonical SMILES for 2-(2,2-difluoroethoxy)pyrazole-3-carboxylic acid is O=C(O)c1ccnn1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)pyrazole-3-carboxylic acid?
The InChIKey is QXTZWHXWSMTFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O3/c7-5(8)3-13-10-4(6(11)12)1-2-9-10/h1-2,5H,3H2,(H,11,12).
What are the key properties of 2-(2,2-difluoroethoxy)pyrazole-3-carboxylic acid?
2-(2,2-difluoroethoxy)pyrazole-3-carboxylic acid has a molecular weight of 192.12 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)pyrazole-3-carboxylic acid is sourced from PubChem (CID 151667211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).