5-bromo-2-ethylfuran-3-carbaldehyde

C7H7BrO2 — CID 82396999

IUPAC5-bromo-2-ethylfuran-3-carbaldehyde
SMILESCCc1oc(Br)cc1C=O
InChIInChI=1S/C7H7BrO2/c1-2-6-5(4-9)3-7(8)10-6/h3-4H,2H2,1H3
InChIKeyGFUNCVHYROXHDX-UHFFFAOYSA-N
MW203.03 g/mol
LogP2.42
Rot. Bonds2

About 5-bromo-2-ethylfuran-3-carbaldehyde

5-bromo-2-ethylfuran-3-carbaldehyde (PubChem CID 82396999) has the molecular formula C7H7BrO2 and a molecular weight of 203.03 g/mol. Its IUPAC name is 5-bromo-2-ethylfuran-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-ethylfuran-3-carbaldehyde
PubChem CID82396999
Molecular FormulaC7H7BrO2
Molecular Weight203.03 g/mol
Exact Mass201.96
IUPAC Name5-bromo-2-ethylfuran-3-carbaldehyde
SMILESCCc1oc(Br)cc1C=O
InChIInChI=1S/C7H7BrO2/c1-2-6-5(4-9)3-7(8)10-6/h3-4H,2H2,1H3
InChIKeyGFUNCVHYROXHDX-UHFFFAOYSA-N
XLogP2.42
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethylfuran-3-carbaldehyde?
The IUPAC name of 5-bromo-2-ethylfuran-3-carbaldehyde (CID 82396999) is 5-bromo-2-ethylfuran-3-carbaldehyde.
What is the SMILES notation for 5-bromo-2-ethylfuran-3-carbaldehyde?
The canonical SMILES for 5-bromo-2-ethylfuran-3-carbaldehyde is CCc1oc(Br)cc1C=O.
What is the InChIKey of 5-bromo-2-ethylfuran-3-carbaldehyde?
The InChIKey is GFUNCVHYROXHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2/c1-2-6-5(4-9)3-7(8)10-6/h3-4H,2H2,1H3.
What are the key properties of 5-bromo-2-ethylfuran-3-carbaldehyde?
5-bromo-2-ethylfuran-3-carbaldehyde has a molecular weight of 203.03 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethylfuran-3-carbaldehyde is sourced from PubChem (CID 82396999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).