5-(2-bromoethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran

C16H14BrFO — CID 174548491

IUPAC5-(2-bromoethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
SMILESFc1ccc(C2OCc3cc(CCBr)ccc32)cc1
InChIInChI=1S/C16H14BrFO/c17-8-7-11-1-6-15-13(9-11)10-19-16(15)12-2-4-14(18)5-3-12/h1-6,9,16H,7-8,10H2
InChIKeyHUDXSRJIFNYGAD-UHFFFAOYSA-N
MW321.19 g/mol
LogP4.38
Rot. Bonds3

About 5-(2-bromoethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran

5-(2-bromoethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran (PubChem CID 174548491) has the molecular formula C16H14BrFO and a molecular weight of 321.19 g/mol. Its IUPAC name is 5-(2-bromoethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-(2-bromoethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
PubChem CID174548491
Molecular FormulaC16H14BrFO
Molecular Weight321.19 g/mol
Exact Mass320.02
IUPAC Name5-(2-bromoethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
SMILESFc1ccc(C2OCc3cc(CCBr)ccc32)cc1
InChIInChI=1S/C16H14BrFO/c17-8-7-11-1-6-15-13(9-11)10-19-16(15)12-2-4-14(18)5-3-12/h1-6,9,16H,7-8,10H2
InChIKeyHUDXSRJIFNYGAD-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(2-bromoethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran with MolForge

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

Launch Full Analysis

Related Compounds

1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile
CID 9856159
5-(Bromomethyl)-1,3-dihydro-2-benzofuran
CID 58200106
1,4-Epoxyanthracene, 1,4-dihydro-
CID 312131
Ether, alpha-(bromomethyl)-p-cyclohexylbenzyl pentyl
CID 30575
Ether, alpha-(bromomethyl)-p-cyclohexylbenzyl hexyl
CID 30576
4-(Bromomethyl)-1,3-dihydro-2-benzofuran
CID 156307240
(12R,15S)-2,2,3,3,8,8,9,9-octafluoro-19-oxapentacyclo[8.6.2.24,7.112,15.011,16]henicosa-1(16),4,6,10,13,17,20-heptaene
CID 10884261
6-(Trifluoromethyl)-1,4-dihydro-1,4-epoxynaphthalene
CID 12153293
2-Bromo-7-(trifluoromethyl)-1,4-dihydro-1,4-epoxynaphthalene
CID 59030767
2-Bromo-6-(trifluoromethyl)-1,4-dihydro-1,4-epoxynaphthalene
CID 59030836
2,3-Dibromo-6-(trifluoromethyl)-1,4-epoxy-1,2,3,4-tetrahydronaphthalene
CID 67486499
1-(4-fluorophenyl)-1-prop-2-enyl-3H-2-benzofuran-5-carbonitrile
CID 9965483

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-(2-bromoethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran (CID 174548491) is 5-(2-bromoethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-(2-bromoethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-(2-bromoethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran is Fc1ccc(C2OCc3cc(CCBr)ccc32)cc1.
What is the InChIKey of 5-(2-bromoethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
The InChIKey is HUDXSRJIFNYGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO/c17-8-7-11-1-6-15-13(9-11)10-19-16(15)12-2-4-14(18)5-3-12/h1-6,9,16H,7-8,10H2.
What are the key properties of 5-(2-bromoethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
5-(2-bromoethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran has a molecular weight of 321.19 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 174548491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).