2-(4-bromobutyl)furan

C8H11BrO — CID 556928

IUPAC2-(4-bromobutyl)furan
SMILESBrCCCCc1ccco1
InChIInChI=1S/C8H11BrO/c9-6-2-1-4-8-5-3-7-10-8/h3,5,7H,1-2,4,6H2
InChIKeyFDHJCSVJGZHEOQ-UHFFFAOYSA-N
MW203.08 g/mol
LogP3.00
Rot. Bonds4

About 2-(4-bromobutyl)furan

2-(4-bromobutyl)furan (PubChem CID 556928) has the molecular formula C8H11BrO and a molecular weight of 203.08 g/mol. Its IUPAC name is 2-(4-bromobutyl)furan.

Molecular Properties

Compound Name2-(4-bromobutyl)furan
PubChem CID556928
Molecular FormulaC8H11BrO
Molecular Weight203.08 g/mol
Exact Mass202.00
IUPAC Name2-(4-bromobutyl)furan
SMILESBrCCCCc1ccco1
InChIInChI=1S/C8H11BrO/c9-6-2-1-4-8-5-3-7-10-8/h3,5,7H,1-2,4,6H2
InChIKeyFDHJCSVJGZHEOQ-UHFFFAOYSA-N
XLogP3.00
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromobutyl)furan?
The IUPAC name of 2-(4-bromobutyl)furan (CID 556928) is 2-(4-bromobutyl)furan.
What is the SMILES notation for 2-(4-bromobutyl)furan?
The canonical SMILES for 2-(4-bromobutyl)furan is BrCCCCc1ccco1.
What is the InChIKey of 2-(4-bromobutyl)furan?
The InChIKey is FDHJCSVJGZHEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO/c9-6-2-1-4-8-5-3-7-10-8/h3,5,7H,1-2,4,6H2.
What are the key properties of 2-(4-bromobutyl)furan?
2-(4-bromobutyl)furan has a molecular weight of 203.08 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobutyl)furan is sourced from PubChem (CID 556928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).