2-(3-bromophenyl)-6-chloro-5-fluoro-2,3-dihydro-1-benzofuran

C14H9BrClFO — CID 172603112

IUPAC2-(3-bromophenyl)-6-chloro-5-fluoro-2,3-dihydro-1-benzofuran
SMILESFc1cc2c(cc1Cl)OC(c1cccc(Br)c1)C2
InChIInChI=1S/C14H9BrClFO/c15-10-3-1-2-8(4-10)13-6-9-5-12(17)11(16)7-14(9)18-13/h1-5,7,13H,6H2
InChIKeyCVSYSODYSPFOOO-UHFFFAOYSA-N
MW327.58 g/mol
LogP4.92
Rot. Bonds1

About 2-(3-bromophenyl)-6-chloro-5-fluoro-2,3-dihydro-1-benzofuran

2-(3-bromophenyl)-6-chloro-5-fluoro-2,3-dihydro-1-benzofuran (PubChem CID 172603112) has the molecular formula C14H9BrClFO and a molecular weight of 327.58 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-chloro-5-fluoro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-chloro-5-fluoro-2,3-dihydro-1-benzofuran
PubChem CID172603112
Molecular FormulaC14H9BrClFO
Molecular Weight327.58 g/mol
Exact Mass325.95
IUPAC Name2-(3-bromophenyl)-6-chloro-5-fluoro-2,3-dihydro-1-benzofuran
SMILESFc1cc2c(cc1Cl)OC(c1cccc(Br)c1)C2
InChIInChI=1S/C14H9BrClFO/c15-10-3-1-2-8(4-10)13-6-9-5-12(17)11(16)7-14(9)18-13/h1-5,7,13H,6H2
InChIKeyCVSYSODYSPFOOO-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.58
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromophenyl)-6-chloro-5-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 2-(3-bromophenyl)-6-chloro-5-fluoro-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-(3-bromophenyl)-6-chloro-5-fluoro-2,3-dihydro-1-benzofuran (CID 172603112) is 2-(3-bromophenyl)-6-chloro-5-fluoro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-(3-bromophenyl)-6-chloro-5-fluoro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-(3-bromophenyl)-6-chloro-5-fluoro-2,3-dihydro-1-benzofuran is Fc1cc2c(cc1Cl)OC(c1cccc(Br)c1)C2.
What is the InChIKey of 2-(3-bromophenyl)-6-chloro-5-fluoro-2,3-dihydro-1-benzofuran?
The InChIKey is CVSYSODYSPFOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO/c15-10-3-1-2-8(4-10)13-6-9-5-12(17)11(16)7-14(9)18-13/h1-5,7,13H,6H2.
What are the key properties of 2-(3-bromophenyl)-6-chloro-5-fluoro-2,3-dihydro-1-benzofuran?
2-(3-bromophenyl)-6-chloro-5-fluoro-2,3-dihydro-1-benzofuran has a molecular weight of 327.58 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-chloro-5-fluoro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 172603112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).