4,4-difluoro-3-pyrazol-1-ylbutanoic acid

C7H8F2N2O2 — CID 121435652

IUPAC4,4-difluoro-3-pyrazol-1-ylbutanoic acid
SMILESO=C(O)CC(C(F)F)n1cccn1
InChIInChI=1S/C7H8F2N2O2/c8-7(9)5(4-6(12)13)11-3-1-2-10-11/h1-3,5,7H,4H2,(H,12,13)
InChIKeyRCQIFUSKXQAHKA-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.16
Rot. Bonds4

About 4,4-difluoro-3-pyrazol-1-ylbutanoic acid

4,4-difluoro-3-pyrazol-1-ylbutanoic acid (PubChem CID 121435652) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 4,4-difluoro-3-pyrazol-1-ylbutanoic acid.

Molecular Properties

Compound Name4,4-difluoro-3-pyrazol-1-ylbutanoic acid
PubChem CID121435652
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name4,4-difluoro-3-pyrazol-1-ylbutanoic acid
SMILESO=C(O)CC(C(F)F)n1cccn1
InChIInChI=1S/C7H8F2N2O2/c8-7(9)5(4-6(12)13)11-3-1-2-10-11/h1-3,5,7H,4H2,(H,12,13)
InChIKeyRCQIFUSKXQAHKA-UHFFFAOYSA-N
XLogP1.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-pyrazol-1-ylbutanoic acid?
The IUPAC name of 4,4-difluoro-3-pyrazol-1-ylbutanoic acid (CID 121435652) is 4,4-difluoro-3-pyrazol-1-ylbutanoic acid.
What is the SMILES notation for 4,4-difluoro-3-pyrazol-1-ylbutanoic acid?
The canonical SMILES for 4,4-difluoro-3-pyrazol-1-ylbutanoic acid is O=C(O)CC(C(F)F)n1cccn1.
What is the InChIKey of 4,4-difluoro-3-pyrazol-1-ylbutanoic acid?
The InChIKey is RCQIFUSKXQAHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c8-7(9)5(4-6(12)13)11-3-1-2-10-11/h1-3,5,7H,4H2,(H,12,13).
What are the key properties of 4,4-difluoro-3-pyrazol-1-ylbutanoic acid?
4,4-difluoro-3-pyrazol-1-ylbutanoic acid has a molecular weight of 190.15 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-pyrazol-1-ylbutanoic acid is sourced from PubChem (CID 121435652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).