5-fluoro-1H-pyrazole-4-carbonyl fluoride

C4H2F2N2O — CID 135373088

IUPAC5-fluoro-1H-pyrazole-4-carbonyl fluoride
SMILESO=C(F)c1cn[nH]c1F
InChIInChI=1S/C4H2F2N2O/c5-3-2(4(6)9)1-7-8-3/h1H,(H,7,8)
InChIKeyJFQHKAZLEJKYFD-UHFFFAOYSA-N
MW132.07 g/mol
LogP0.66
Rot. Bonds1

About 5-fluoro-1H-pyrazole-4-carbonyl fluoride

5-fluoro-1H-pyrazole-4-carbonyl fluoride (PubChem CID 135373088) has the molecular formula C4H2F2N2O and a molecular weight of 132.07 g/mol. Its IUPAC name is 5-fluoro-1H-pyrazole-4-carbonyl fluoride.

Molecular Properties

Compound Name5-fluoro-1H-pyrazole-4-carbonyl fluoride
PubChem CID135373088
Molecular FormulaC4H2F2N2O
Molecular Weight132.07 g/mol
Exact Mass132.01
IUPAC Name5-fluoro-1H-pyrazole-4-carbonyl fluoride
SMILESO=C(F)c1cn[nH]c1F
InChIInChI=1S/C4H2F2N2O/c5-3-2(4(6)9)1-7-8-3/h1H,(H,7,8)
InChIKeyJFQHKAZLEJKYFD-UHFFFAOYSA-N
XLogP0.66
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.07
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrazole-4-carbonyl fluoride?
The IUPAC name of 5-fluoro-1H-pyrazole-4-carbonyl fluoride (CID 135373088) is 5-fluoro-1H-pyrazole-4-carbonyl fluoride.
What is the SMILES notation for 5-fluoro-1H-pyrazole-4-carbonyl fluoride?
The canonical SMILES for 5-fluoro-1H-pyrazole-4-carbonyl fluoride is O=C(F)c1cn[nH]c1F.
What is the InChIKey of 5-fluoro-1H-pyrazole-4-carbonyl fluoride?
The InChIKey is JFQHKAZLEJKYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F2N2O/c5-3-2(4(6)9)1-7-8-3/h1H,(H,7,8).
What are the key properties of 5-fluoro-1H-pyrazole-4-carbonyl fluoride?
5-fluoro-1H-pyrazole-4-carbonyl fluoride has a molecular weight of 132.07 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrazole-4-carbonyl fluoride is sourced from PubChem (CID 135373088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).