5-fluoro-4-iodo-1-propan-2-ylpyrazole

C6H8FIN2 — CID 90419720

IUPAC5-fluoro-4-iodo-1-propan-2-ylpyrazole
SMILESCC(C)n1ncc(I)c1F
InChIInChI=1S/C6H8FIN2/c1-4(2)10-6(7)5(8)3-9-10/h3-4H,1-2H3
InChIKeySOGBXVZFWQGSFB-UHFFFAOYSA-N
MW254.05 g/mol
LogP2.21
Rot. Bonds1

About 5-fluoro-4-iodo-1-propan-2-ylpyrazole

5-fluoro-4-iodo-1-propan-2-ylpyrazole (PubChem CID 90419720) has the molecular formula C6H8FIN2 and a molecular weight of 254.05 g/mol. Its IUPAC name is 5-fluoro-4-iodo-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-fluoro-4-iodo-1-propan-2-ylpyrazole
PubChem CID90419720
Molecular FormulaC6H8FIN2
Molecular Weight254.05 g/mol
Exact Mass253.97
IUPAC Name5-fluoro-4-iodo-1-propan-2-ylpyrazole
SMILESCC(C)n1ncc(I)c1F
InChIInChI=1S/C6H8FIN2/c1-4(2)10-6(7)5(8)3-9-10/h3-4H,1-2H3
InChIKeySOGBXVZFWQGSFB-UHFFFAOYSA-N
XLogP2.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.05
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-iodo-1-propan-2-ylpyrazole?
The IUPAC name of 5-fluoro-4-iodo-1-propan-2-ylpyrazole (CID 90419720) is 5-fluoro-4-iodo-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-fluoro-4-iodo-1-propan-2-ylpyrazole?
The canonical SMILES for 5-fluoro-4-iodo-1-propan-2-ylpyrazole is CC(C)n1ncc(I)c1F.
What is the InChIKey of 5-fluoro-4-iodo-1-propan-2-ylpyrazole?
The InChIKey is SOGBXVZFWQGSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FIN2/c1-4(2)10-6(7)5(8)3-9-10/h3-4H,1-2H3.
What are the key properties of 5-fluoro-4-iodo-1-propan-2-ylpyrazole?
5-fluoro-4-iodo-1-propan-2-ylpyrazole has a molecular weight of 254.05 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-iodo-1-propan-2-ylpyrazole is sourced from PubChem (CID 90419720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).