5-chloro-2-methylfuran-3-carbonyl chloride

C6H4Cl2O2 — CID 14928311

IUPAC5-chloro-2-methylfuran-3-carbonyl chloride
SMILESCc1oc(Cl)cc1C(=O)Cl
InChIInChI=1S/C6H4Cl2O2/c1-3-4(6(8)9)2-5(7)10-3/h2H,1H3
InChIKeyWWZCNSLLQBLPLC-UHFFFAOYSA-N
MW179.00 g/mol
LogP2.62
Rot. Bonds1

About 5-chloro-2-methylfuran-3-carbonyl chloride

5-chloro-2-methylfuran-3-carbonyl chloride (PubChem CID 14928311) has the molecular formula C6H4Cl2O2 and a molecular weight of 179.00 g/mol. Its IUPAC name is 5-chloro-2-methylfuran-3-carbonyl chloride.

Molecular Properties

Compound Name5-chloro-2-methylfuran-3-carbonyl chloride
PubChem CID14928311
Molecular FormulaC6H4Cl2O2
Molecular Weight179.00 g/mol
Exact Mass177.96
IUPAC Name5-chloro-2-methylfuran-3-carbonyl chloride
SMILESCc1oc(Cl)cc1C(=O)Cl
InChIInChI=1S/C6H4Cl2O2/c1-3-4(6(8)9)2-5(7)10-3/h2H,1H3
InChIKeyWWZCNSLLQBLPLC-UHFFFAOYSA-N
XLogP2.62
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.00
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-chloro-2-methylfuran-3-carbonyl chloride?
The IUPAC name of 5-chloro-2-methylfuran-3-carbonyl chloride (CID 14928311) is 5-chloro-2-methylfuran-3-carbonyl chloride.
What is the SMILES notation for 5-chloro-2-methylfuran-3-carbonyl chloride?
The canonical SMILES for 5-chloro-2-methylfuran-3-carbonyl chloride is Cc1oc(Cl)cc1C(=O)Cl.
What is the InChIKey of 5-chloro-2-methylfuran-3-carbonyl chloride?
The InChIKey is WWZCNSLLQBLPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O2/c1-3-4(6(8)9)2-5(7)10-3/h2H,1H3.
What are the key properties of 5-chloro-2-methylfuran-3-carbonyl chloride?
5-chloro-2-methylfuran-3-carbonyl chloride has a molecular weight of 179.00 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylfuran-3-carbonyl chloride is sourced from PubChem (CID 14928311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).