2-bromo-5-[2-(bromomethyl)cyclopropyl]furan

C8H8Br2O — CID 81351527

IUPAC2-bromo-5-[2-(bromomethyl)cyclopropyl]furan
SMILESBrCC1CC1c1ccc(Br)o1
InChIInChI=1S/C8H8Br2O/c9-4-5-3-6(5)7-1-2-8(10)11-7/h1-2,5-6H,3-4H2
InChIKeyPXUPXLJCMZOCMX-UHFFFAOYSA-N
MW279.96 g/mol
LogP3.54
Rot. Bonds2

About 2-bromo-5-[2-(bromomethyl)cyclopropyl]furan

2-bromo-5-[2-(bromomethyl)cyclopropyl]furan (PubChem CID 81351527) has the molecular formula C8H8Br2O and a molecular weight of 279.96 g/mol. Its IUPAC name is 2-bromo-5-[2-(bromomethyl)cyclopropyl]furan.

Molecular Properties

Compound Name2-bromo-5-[2-(bromomethyl)cyclopropyl]furan
PubChem CID81351527
Molecular FormulaC8H8Br2O
Molecular Weight279.96 g/mol
Exact Mass277.89
IUPAC Name2-bromo-5-[2-(bromomethyl)cyclopropyl]furan
SMILESBrCC1CC1c1ccc(Br)o1
InChIInChI=1S/C8H8Br2O/c9-4-5-3-6(5)7-1-2-8(10)11-7/h1-2,5-6H,3-4H2
InChIKeyPXUPXLJCMZOCMX-UHFFFAOYSA-N
XLogP3.54
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.96
LogP ≤ 53.54
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-(bromomethyl)cyclopropyl]furan?
The IUPAC name of 2-bromo-5-[2-(bromomethyl)cyclopropyl]furan (CID 81351527) is 2-bromo-5-[2-(bromomethyl)cyclopropyl]furan.
What is the SMILES notation for 2-bromo-5-[2-(bromomethyl)cyclopropyl]furan?
The canonical SMILES for 2-bromo-5-[2-(bromomethyl)cyclopropyl]furan is BrCC1CC1c1ccc(Br)o1.
What is the InChIKey of 2-bromo-5-[2-(bromomethyl)cyclopropyl]furan?
The InChIKey is PXUPXLJCMZOCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O/c9-4-5-3-6(5)7-1-2-8(10)11-7/h1-2,5-6H,3-4H2.
What are the key properties of 2-bromo-5-[2-(bromomethyl)cyclopropyl]furan?
2-bromo-5-[2-(bromomethyl)cyclopropyl]furan has a molecular weight of 279.96 g/mol, XLogP of 3.54, 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-(bromomethyl)cyclopropyl]furan is sourced from PubChem (CID 81351527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).