1-[fluoro(iodo)methyl]-4-iodopyrazole

C4H3FI2N2 — CID 89261960

IUPAC1-[fluoro(iodo)methyl]-4-iodopyrazole
SMILESFC(I)n1cc(I)cn1
InChIInChI=1S/C4H3FI2N2/c5-4(7)9-2-3(6)1-8-9/h1-2,4H
InChIKeyISEQVZPOBQFJGA-UHFFFAOYSA-N
MW351.89 g/mol
LogP2.35
Rot. Bonds1

About 1-[fluoro(iodo)methyl]-4-iodopyrazole

1-[fluoro(iodo)methyl]-4-iodopyrazole (PubChem CID 89261960) has the molecular formula C4H3FI2N2 and a molecular weight of 351.89 g/mol. Its IUPAC name is 1-[fluoro(iodo)methyl]-4-iodopyrazole.

Molecular Properties

Compound Name1-[fluoro(iodo)methyl]-4-iodopyrazole
PubChem CID89261960
Molecular FormulaC4H3FI2N2
Molecular Weight351.89 g/mol
Exact Mass351.84
IUPAC Name1-[fluoro(iodo)methyl]-4-iodopyrazole
SMILESFC(I)n1cc(I)cn1
InChIInChI=1S/C4H3FI2N2/c5-4(7)9-2-3(6)1-8-9/h1-2,4H
InChIKeyISEQVZPOBQFJGA-UHFFFAOYSA-N
XLogP2.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.89
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(iodo)methyl]-4-iodopyrazole?
The IUPAC name of 1-[fluoro(iodo)methyl]-4-iodopyrazole (CID 89261960) is 1-[fluoro(iodo)methyl]-4-iodopyrazole.
What is the SMILES notation for 1-[fluoro(iodo)methyl]-4-iodopyrazole?
The canonical SMILES for 1-[fluoro(iodo)methyl]-4-iodopyrazole is FC(I)n1cc(I)cn1.
What is the InChIKey of 1-[fluoro(iodo)methyl]-4-iodopyrazole?
The InChIKey is ISEQVZPOBQFJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FI2N2/c5-4(7)9-2-3(6)1-8-9/h1-2,4H.
What are the key properties of 1-[fluoro(iodo)methyl]-4-iodopyrazole?
1-[fluoro(iodo)methyl]-4-iodopyrazole has a molecular weight of 351.89 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(iodo)methyl]-4-iodopyrazole is sourced from PubChem (CID 89261960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).