2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran

C17H16BrFO — CID 79431712

IUPAC2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran
SMILESFc1cccc(C(CBr)CC2Cc3ccccc3O2)c1
InChIInChI=1S/C17H16BrFO/c18-11-14(12-5-3-6-15(19)8-12)10-16-9-13-4-1-2-7-17(13)20-16/h1-8,14,16H,9-11H2
InChIKeyJGKJHMWYDCWQNG-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.70
Rot. Bonds4

About 2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran

2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran (PubChem CID 79431712) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran
PubChem CID79431712
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran
SMILESFc1cccc(C(CBr)CC2Cc3ccccc3O2)c1
InChIInChI=1S/C17H16BrFO/c18-11-14(12-5-3-6-15(19)8-12)10-16-9-13-4-1-2-7-17(13)20-16/h1-8,14,16H,9-11H2
InChIKeyJGKJHMWYDCWQNG-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365797
2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran
CID 79433736
3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol
CID 66360930
2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol
CID 79431432
2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 79438173
2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran
CID 79435863
2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine
CID 79441587
3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluorophenyl)propan-1-ol
CID 79437375
2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran
CID 66365047
2-[2-(bromomethyl)-3-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran
CID 66363879
1-(1,5-dibromopentan-3-yl)-3-fluorobenzene
CID 139789232
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran (CID 79431712) is 2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran is Fc1cccc(C(CBr)CC2Cc3ccccc3O2)c1.
What is the InChIKey of 2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran?
The InChIKey is JGKJHMWYDCWQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c18-11-14(12-5-3-6-15(19)8-12)10-16-9-13-4-1-2-7-17(13)20-16/h1-8,14,16H,9-11H2.
What are the key properties of 2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran?
2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran has a molecular weight of 335.22 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 79431712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).