2,2,3,3-tetrachloro-1-benzofuran

C8H4Cl4O — CID 86126466

IUPAC2,2,3,3-tetrachloro-1-benzofuran
SMILESClC1(Cl)Oc2ccccc2C1(Cl)Cl
InChIInChI=1S/C8H4Cl4O/c9-7(10)5-3-1-2-4-6(5)13-8(7,11)12/h1-4H
InChIKeyYIYBMDGRPGQDDN-UHFFFAOYSA-N
MW257.93 g/mol
LogP3.84
Rot. Bonds

About 2,2,3,3-tetrachloro-1-benzofuran

2,2,3,3-tetrachloro-1-benzofuran (PubChem CID 86126466) has the molecular formula C8H4Cl4O and a molecular weight of 257.93 g/mol. Its IUPAC name is 2,2,3,3-tetrachloro-1-benzofuran.

Molecular Properties

Compound Name2,2,3,3-tetrachloro-1-benzofuran
PubChem CID86126466
Molecular FormulaC8H4Cl4O
Molecular Weight257.93 g/mol
Exact Mass255.90
IUPAC Name2,2,3,3-tetrachloro-1-benzofuran
SMILESClC1(Cl)Oc2ccccc2C1(Cl)Cl
InChIInChI=1S/C8H4Cl4O/c9-7(10)5-3-1-2-4-6(5)13-8(7,11)12/h1-4H
InChIKeyYIYBMDGRPGQDDN-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.93
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrachloro-1-benzofuran?
The IUPAC name of 2,2,3,3-tetrachloro-1-benzofuran (CID 86126466) is 2,2,3,3-tetrachloro-1-benzofuran.
What is the SMILES notation for 2,2,3,3-tetrachloro-1-benzofuran?
The canonical SMILES for 2,2,3,3-tetrachloro-1-benzofuran is ClC1(Cl)Oc2ccccc2C1(Cl)Cl.
What is the InChIKey of 2,2,3,3-tetrachloro-1-benzofuran?
The InChIKey is YIYBMDGRPGQDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl4O/c9-7(10)5-3-1-2-4-6(5)13-8(7,11)12/h1-4H.
What are the key properties of 2,2,3,3-tetrachloro-1-benzofuran?
2,2,3,3-tetrachloro-1-benzofuran has a molecular weight of 257.93 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrachloro-1-benzofuran is sourced from PubChem (CID 86126466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).