propan-2-yl 5-iodofuran-3-carboxylate

C8H9IO3 — CID 133061928

IUPACpropan-2-yl 5-iodofuran-3-carboxylate
SMILESCC(C)OC(=O)c1coc(I)c1
InChIInChI=1S/C8H9IO3/c1-5(2)12-8(10)6-3-7(9)11-4-6/h3-5H,1-2H3
InChIKeyLDFZTZPKTCGCRZ-UHFFFAOYSA-N
MW280.06 g/mol
LogP2.45
Rot. Bonds2

About propan-2-yl 5-iodofuran-3-carboxylate

propan-2-yl 5-iodofuran-3-carboxylate (PubChem CID 133061928) has the molecular formula C8H9IO3 and a molecular weight of 280.06 g/mol. Its IUPAC name is propan-2-yl 5-iodofuran-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-iodofuran-3-carboxylate
PubChem CID133061928
Molecular FormulaC8H9IO3
Molecular Weight280.06 g/mol
Exact Mass279.96
IUPAC Namepropan-2-yl 5-iodofuran-3-carboxylate
SMILESCC(C)OC(=O)c1coc(I)c1
InChIInChI=1S/C8H9IO3/c1-5(2)12-8(10)6-3-7(9)11-4-6/h3-5H,1-2H3
InChIKeyLDFZTZPKTCGCRZ-UHFFFAOYSA-N
XLogP2.45
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 5-chlorofuran-3-carboxylate
CID 133063422
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
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propan-2-yl 4-fluoro-5-iodo-1H-pyrrole-2-carboxylate
CID 133061244
propan-2-yl 1-methyl-2-oxopyridine-4-carboxylate
CID 112728304
zinc propan-2-yl 4-hydroxybenzoate
CID 54602710
propan-2-yl 4-carbonochloridoylbenzoate
CID 91331513
propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate
CID 142863752
bis(propan-2-yl 4-hydroxybenzoate);zinc
CID 122130630

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-iodofuran-3-carboxylate?
The IUPAC name of propan-2-yl 5-iodofuran-3-carboxylate (CID 133061928) is propan-2-yl 5-iodofuran-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-iodofuran-3-carboxylate?
The canonical SMILES for propan-2-yl 5-iodofuran-3-carboxylate is CC(C)OC(=O)c1coc(I)c1.
What is the InChIKey of propan-2-yl 5-iodofuran-3-carboxylate?
The InChIKey is LDFZTZPKTCGCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO3/c1-5(2)12-8(10)6-3-7(9)11-4-6/h3-5H,1-2H3.
What are the key properties of propan-2-yl 5-iodofuran-3-carboxylate?
propan-2-yl 5-iodofuran-3-carboxylate has a molecular weight of 280.06 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-iodofuran-3-carboxylate is sourced from PubChem (CID 133061928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).