2-bromo-3-hexylfuran

C10H15BrO — CID 139844398

IUPAC2-bromo-3-hexylfuran
SMILESCCCCCCc1ccoc1Br
InChIInChI=1S/C10H15BrO/c1-2-3-4-5-6-9-7-8-12-10(9)11/h7-8H,2-6H2,1H3
InChIKeyVFHXPHSODDEVQD-UHFFFAOYSA-N
MW231.13 g/mol
LogP4.16
Rot. Bonds5

About 2-bromo-3-hexylfuran

2-bromo-3-hexylfuran (PubChem CID 139844398) has the molecular formula C10H15BrO and a molecular weight of 231.13 g/mol. Its IUPAC name is 2-bromo-3-hexylfuran.

Molecular Properties

Compound Name2-bromo-3-hexylfuran
PubChem CID139844398
Molecular FormulaC10H15BrO
Molecular Weight231.13 g/mol
Exact Mass230.03
IUPAC Name2-bromo-3-hexylfuran
SMILESCCCCCCc1ccoc1Br
InChIInChI=1S/C10H15BrO/c1-2-3-4-5-6-9-7-8-12-10(9)11/h7-8H,2-6H2,1H3
InChIKeyVFHXPHSODDEVQD-UHFFFAOYSA-N
XLogP4.16
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-hexylfuran?
The IUPAC name of 2-bromo-3-hexylfuran (CID 139844398) is 2-bromo-3-hexylfuran.
What is the SMILES notation for 2-bromo-3-hexylfuran?
The canonical SMILES for 2-bromo-3-hexylfuran is CCCCCCc1ccoc1Br.
What is the InChIKey of 2-bromo-3-hexylfuran?
The InChIKey is VFHXPHSODDEVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO/c1-2-3-4-5-6-9-7-8-12-10(9)11/h7-8H,2-6H2,1H3.
What are the key properties of 2-bromo-3-hexylfuran?
2-bromo-3-hexylfuran has a molecular weight of 231.13 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-hexylfuran is sourced from PubChem (CID 139844398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).