5-bromo-4-fluoro-2,3-dihydro-1-benzofuran

C8H6BrFO — CID 82374548

IUPAC5-bromo-4-fluoro-2,3-dihydro-1-benzofuran
SMILESFc1c(Br)ccc2c1CCO2
InChIInChI=1S/C8H6BrFO/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-2H,3-4H2
InChIKeyHEWRWTFEHQYCLJ-UHFFFAOYSA-N
MW217.04 g/mol
LogP2.52
Rot. Bonds

About 5-bromo-4-fluoro-2,3-dihydro-1-benzofuran

5-bromo-4-fluoro-2,3-dihydro-1-benzofuran (PubChem CID 82374548) has the molecular formula C8H6BrFO and a molecular weight of 217.04 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-4-fluoro-2,3-dihydro-1-benzofuran
PubChem CID82374548
Molecular FormulaC8H6BrFO
Molecular Weight217.04 g/mol
Exact Mass215.96
IUPAC Name5-bromo-4-fluoro-2,3-dihydro-1-benzofuran
SMILESFc1c(Br)ccc2c1CCO2
InChIInChI=1S/C8H6BrFO/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-2H,3-4H2
InChIKeyHEWRWTFEHQYCLJ-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.04
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-4-fluoro-2,3-dihydro-1-benzofuran 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 5-bromo-4-fluoro-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-4-fluoro-2,3-dihydro-1-benzofuran (CID 82374548) is 5-bromo-4-fluoro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-4-fluoro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-4-fluoro-2,3-dihydro-1-benzofuran is Fc1c(Br)ccc2c1CCO2.
What is the InChIKey of 5-bromo-4-fluoro-2,3-dihydro-1-benzofuran?
The InChIKey is HEWRWTFEHQYCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-2H,3-4H2.
What are the key properties of 5-bromo-4-fluoro-2,3-dihydro-1-benzofuran?
5-bromo-4-fluoro-2,3-dihydro-1-benzofuran has a molecular weight of 217.04 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 82374548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).