2-bromoethyl 3-(furan-2-yl)propanoate

C9H11BrO3 — CID 174386659

IUPAC2-bromoethyl 3-(furan-2-yl)propanoate
SMILESO=C(CCc1ccco1)OCCBr
InChIInChI=1S/C9H11BrO3/c10-5-7-13-9(11)4-3-8-2-1-6-12-8/h1-2,6H,3-5,7H2
InChIKeyQZBXCPZTWIVZKF-UHFFFAOYSA-N
MW247.09 g/mol
LogP2.15
Rot. Bonds5

About 2-bromoethyl 3-(furan-2-yl)propanoate

2-bromoethyl 3-(furan-2-yl)propanoate (PubChem CID 174386659) has the molecular formula C9H11BrO3 and a molecular weight of 247.09 g/mol. Its IUPAC name is 2-bromoethyl 3-(furan-2-yl)propanoate.

Molecular Properties

Compound Name2-bromoethyl 3-(furan-2-yl)propanoate
PubChem CID174386659
Molecular FormulaC9H11BrO3
Molecular Weight247.09 g/mol
Exact Mass245.99
IUPAC Name2-bromoethyl 3-(furan-2-yl)propanoate
SMILESO=C(CCc1ccco1)OCCBr
InChIInChI=1S/C9H11BrO3/c10-5-7-13-9(11)4-3-8-2-1-6-12-8/h1-2,6H,3-5,7H2
InChIKeyQZBXCPZTWIVZKF-UHFFFAOYSA-N
XLogP2.15
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)propanoate
CID 78763973
2-bromoethyl 3-phenylpropanoate
CID 101450584
tert-butyl 3-(furan-2-yl)propanoate
CID 63897010
ethyl 5-(furan-2-yl)-3-oxopentanoate
CID 10846117
methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 139215995
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
(2-fluorophenyl) 3-(furan-2-yl)propanoate
CID 78776978
2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
CID 63679731
2-bromoethyl 3-aminopropanoate
CID 15703163
1-(furan-2-yl)hept-6-yn-3-one
CID 105100759
(1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate
CID 55322975
3-(furan-2-yl)-N-(2-phenoxyethyl)propanamide
CID 78771849

Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl 3-(furan-2-yl)propanoate?
The IUPAC name of 2-bromoethyl 3-(furan-2-yl)propanoate (CID 174386659) is 2-bromoethyl 3-(furan-2-yl)propanoate.
What is the SMILES notation for 2-bromoethyl 3-(furan-2-yl)propanoate?
The canonical SMILES for 2-bromoethyl 3-(furan-2-yl)propanoate is O=C(CCc1ccco1)OCCBr.
What is the InChIKey of 2-bromoethyl 3-(furan-2-yl)propanoate?
The InChIKey is QZBXCPZTWIVZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO3/c10-5-7-13-9(11)4-3-8-2-1-6-12-8/h1-2,6H,3-5,7H2.
What are the key properties of 2-bromoethyl 3-(furan-2-yl)propanoate?
2-bromoethyl 3-(furan-2-yl)propanoate has a molecular weight of 247.09 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl 3-(furan-2-yl)propanoate is sourced from PubChem (CID 174386659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).