2-bromo-5-(2-chloroethyl)furan

C6H6BrClO — CID 64867320

IUPAC2-bromo-5-(2-chloroethyl)furan
SMILESClCCc1ccc(Br)o1
InChIInChI=1S/C6H6BrClO/c7-6-2-1-5(9-6)3-4-8/h1-2H,3-4H2
InChIKeyKWJIAEKPFFJZCE-UHFFFAOYSA-N
MW209.47 g/mol
LogP2.82
Rot. Bonds2

About 2-bromo-5-(2-chloroethyl)furan

2-bromo-5-(2-chloroethyl)furan (PubChem CID 64867320) has the molecular formula C6H6BrClO and a molecular weight of 209.47 g/mol. Its IUPAC name is 2-bromo-5-(2-chloroethyl)furan.

Molecular Properties

Compound Name2-bromo-5-(2-chloroethyl)furan
PubChem CID64867320
Molecular FormulaC6H6BrClO
Molecular Weight209.47 g/mol
Exact Mass207.93
IUPAC Name2-bromo-5-(2-chloroethyl)furan
SMILESClCCc1ccc(Br)o1
InChIInChI=1S/C6H6BrClO/c7-6-2-1-5(9-6)3-4-8/h1-2H,3-4H2
InChIKeyKWJIAEKPFFJZCE-UHFFFAOYSA-N
XLogP2.82
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.47
LogP ≤ 52.82
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-bromo-5-(2-chloroethyl)furan?
The IUPAC name of 2-bromo-5-(2-chloroethyl)furan (CID 64867320) is 2-bromo-5-(2-chloroethyl)furan.
What is the SMILES notation for 2-bromo-5-(2-chloroethyl)furan?
The canonical SMILES for 2-bromo-5-(2-chloroethyl)furan is ClCCc1ccc(Br)o1.
What is the InChIKey of 2-bromo-5-(2-chloroethyl)furan?
The InChIKey is KWJIAEKPFFJZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClO/c7-6-2-1-5(9-6)3-4-8/h1-2H,3-4H2.
What are the key properties of 2-bromo-5-(2-chloroethyl)furan?
2-bromo-5-(2-chloroethyl)furan has a molecular weight of 209.47 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-chloroethyl)furan is sourced from PubChem (CID 64867320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).