2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan

C10H13BrO — CID 64867925

IUPAC2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan
SMILESCC1CC1c1ccc(CCBr)o1
InChIInChI=1S/C10H13BrO/c1-7-6-9(7)10-3-2-8(12-10)4-5-11/h2-3,7,9H,4-6H2,1H3
InChIKeyHCBIEXFNMJHTSM-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.34
Rot. Bonds3

About 2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan

2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan (PubChem CID 64867925) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan.

Molecular Properties

Compound Name2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan
PubChem CID64867925
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan
SMILESCC1CC1c1ccc(CCBr)o1
InChIInChI=1S/C10H13BrO/c1-7-6-9(7)10-3-2-8(12-10)4-5-11/h2-3,7,9H,4-6H2,1H3
InChIKeyHCBIEXFNMJHTSM-UHFFFAOYSA-N
XLogP3.34
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan?
The IUPAC name of 2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan (CID 64867925) is 2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan.
What is the SMILES notation for 2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan?
The canonical SMILES for 2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan is CC1CC1c1ccc(CCBr)o1.
What is the InChIKey of 2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan?
The InChIKey is HCBIEXFNMJHTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-7-6-9(7)10-3-2-8(12-10)4-5-11/h2-3,7,9H,4-6H2,1H3.
What are the key properties of 2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan?
2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan has a molecular weight of 229.12 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan is sourced from PubChem (CID 64867925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).