2-bromo-5-butylfuran

C8H11BrO — CID 59059059

IUPAC2-bromo-5-butylfuran
SMILESCCCCc1ccc(Br)o1
InChIInChI=1S/C8H11BrO/c1-2-3-4-7-5-6-8(9)10-7/h5-6H,2-4H2,1H3
InChIKeyGVTKNPGITLKFQB-UHFFFAOYSA-N
MW203.08 g/mol
LogP3.38
Rot. Bonds3

About 2-bromo-5-butylfuran

2-bromo-5-butylfuran (PubChem CID 59059059) has the molecular formula C8H11BrO and a molecular weight of 203.08 g/mol. Its IUPAC name is 2-bromo-5-butylfuran.

Molecular Properties

Compound Name2-bromo-5-butylfuran
PubChem CID59059059
Molecular FormulaC8H11BrO
Molecular Weight203.08 g/mol
Exact Mass202.00
IUPAC Name2-bromo-5-butylfuran
SMILESCCCCc1ccc(Br)o1
InChIInChI=1S/C8H11BrO/c1-2-3-4-7-5-6-8(9)10-7/h5-6H,2-4H2,1H3
InChIKeyGVTKNPGITLKFQB-UHFFFAOYSA-N
XLogP3.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-butylfuran?
The IUPAC name of 2-bromo-5-butylfuran (CID 59059059) is 2-bromo-5-butylfuran.
What is the SMILES notation for 2-bromo-5-butylfuran?
The canonical SMILES for 2-bromo-5-butylfuran is CCCCc1ccc(Br)o1.
What is the InChIKey of 2-bromo-5-butylfuran?
The InChIKey is GVTKNPGITLKFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO/c1-2-3-4-7-5-6-8(9)10-7/h5-6H,2-4H2,1H3.
What are the key properties of 2-bromo-5-butylfuran?
2-bromo-5-butylfuran has a molecular weight of 203.08 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-butylfuran is sourced from PubChem (CID 59059059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).