propan-2-yl 5-chlorofuran-3-carboxylate

C8H9ClO3 — CID 133063422

IUPACpropan-2-yl 5-chlorofuran-3-carboxylate
SMILESCC(C)OC(=O)c1coc(Cl)c1
InChIInChI=1S/C8H9ClO3/c1-5(2)12-8(10)6-3-7(9)11-4-6/h3-5H,1-2H3
InChIKeyRQLLBNVHSWEGDL-UHFFFAOYSA-N
MW188.61 g/mol
LogP2.50
Rot. Bonds2

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

propan-2-yl 5-chlorofuran-3-carboxylate (PubChem CID 133063422) has the molecular formula C8H9ClO3 and a molecular weight of 188.61 g/mol. Its IUPAC name is propan-2-yl 5-chlorofuran-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-chlorofuran-3-carboxylate
PubChem CID133063422
Molecular FormulaC8H9ClO3
Molecular Weight188.61 g/mol
Exact Mass188.02
IUPAC Namepropan-2-yl 5-chlorofuran-3-carboxylate
SMILESCC(C)OC(=O)c1coc(Cl)c1
InChIInChI=1S/C8H9ClO3/c1-5(2)12-8(10)6-3-7(9)11-4-6/h3-5H,1-2H3
InChIKeyRQLLBNVHSWEGDL-UHFFFAOYSA-N
XLogP2.50
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 168528785
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-chlorofuran-3-carboxylate?
The IUPAC name of propan-2-yl 5-chlorofuran-3-carboxylate (CID 133063422) is propan-2-yl 5-chlorofuran-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-chlorofuran-3-carboxylate?
The canonical SMILES for propan-2-yl 5-chlorofuran-3-carboxylate is CC(C)OC(=O)c1coc(Cl)c1.
What is the InChIKey of propan-2-yl 5-chlorofuran-3-carboxylate?
The InChIKey is RQLLBNVHSWEGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3/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-chlorofuran-3-carboxylate?
propan-2-yl 5-chlorofuran-3-carboxylate has a molecular weight of 188.61 g/mol, XLogP of 2.50, 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-chlorofuran-3-carboxylate is sourced from PubChem (CID 133063422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).