3-[5-(3-chloro-3-oxopropyl)furan-2-yl]propanoyl chloride

C10H10Cl2O3 — CID 101056129

IUPAC3-[5-(3-chloro-3-oxopropyl)furan-2-yl]propanoyl chloride
SMILESO=C(Cl)CCc1ccc(CCC(=O)Cl)o1
InChIInChI=1S/C10H10Cl2O3/c11-9(13)5-3-7-1-2-8(15-7)4-6-10(12)14/h1-2H,3-6H2
InChIKeyQCBHPYPGAAJHDU-UHFFFAOYSA-N
MW249.09 g/mol
LogP2.68
Rot. Bonds6

About 3-[5-(3-chloro-3-oxopropyl)furan-2-yl]propanoyl chloride

3-[5-(3-chloro-3-oxopropyl)furan-2-yl]propanoyl chloride (PubChem CID 101056129) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is 3-[5-(3-chloro-3-oxopropyl)furan-2-yl]propanoyl chloride.

Molecular Properties

Compound Name3-[5-(3-chloro-3-oxopropyl)furan-2-yl]propanoyl chloride
PubChem CID101056129
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Name3-[5-(3-chloro-3-oxopropyl)furan-2-yl]propanoyl chloride
SMILESO=C(Cl)CCc1ccc(CCC(=O)Cl)o1
InChIInChI=1S/C10H10Cl2O3/c11-9(13)5-3-7-1-2-8(15-7)4-6-10(12)14/h1-2H,3-6H2
InChIKeyQCBHPYPGAAJHDU-UHFFFAOYSA-N
XLogP2.68
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[5-(3-chloro-3-oxopropyl)furan-2-yl]propanoyl chloride?
The IUPAC name of 3-[5-(3-chloro-3-oxopropyl)furan-2-yl]propanoyl chloride (CID 101056129) is 3-[5-(3-chloro-3-oxopropyl)furan-2-yl]propanoyl chloride.
What is the SMILES notation for 3-[5-(3-chloro-3-oxopropyl)furan-2-yl]propanoyl chloride?
The canonical SMILES for 3-[5-(3-chloro-3-oxopropyl)furan-2-yl]propanoyl chloride is O=C(Cl)CCc1ccc(CCC(=O)Cl)o1.
What is the InChIKey of 3-[5-(3-chloro-3-oxopropyl)furan-2-yl]propanoyl chloride?
The InChIKey is QCBHPYPGAAJHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c11-9(13)5-3-7-1-2-8(15-7)4-6-10(12)14/h1-2H,3-6H2.
What are the key properties of 3-[5-(3-chloro-3-oxopropyl)furan-2-yl]propanoyl chloride?
3-[5-(3-chloro-3-oxopropyl)furan-2-yl]propanoyl chloride has a molecular weight of 249.09 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chloro-3-oxopropyl)furan-2-yl]propanoyl chloride is sourced from PubChem (CID 101056129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).