5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran

C15H11BrClFO — CID 63430473

IUPAC5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
SMILESFc1cc(Br)cc(C(Cl)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C15H11BrClFO/c16-12-6-11(7-13(18)8-12)15(17)10-1-2-14-9(5-10)3-4-19-14/h1-2,5-8,15H,3-4H2
InChIKeyXZWQTDDEKUMACO-UHFFFAOYSA-N
MW341.61 g/mol
LogP4.85
Rot. Bonds2

About 5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran

5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran (PubChem CID 63430473) has the molecular formula C15H11BrClFO and a molecular weight of 341.61 g/mol. Its IUPAC name is 5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
PubChem CID63430473
Molecular FormulaC15H11BrClFO
Molecular Weight341.61 g/mol
Exact Mass339.97
IUPAC Name5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
SMILESFc1cc(Br)cc(C(Cl)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C15H11BrClFO/c16-12-6-11(7-13(18)8-12)15(17)10-1-2-14-9(5-10)3-4-19-14/h1-2,5-8,15H,3-4H2
InChIKeyXZWQTDDEKUMACO-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.61
LogP ≤ 54.85
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

(3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 61080782
6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 107957741
5-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61085337
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430345
5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430181
5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429924
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 115482879
1-bromo-3-[chloro-(4-propan-2-ylphenyl)methyl]-5-fluorobenzene
CID 63434558
5-[chloro-(6-fluoro-1-benzothiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 81105629
2,4,6-tribromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]aniline
CID 43773640
6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran (CID 63430473) is 5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran is Fc1cc(Br)cc(C(Cl)c2ccc3c(c2)CCO3)c1.
What is the InChIKey of 5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran?
The InChIKey is XZWQTDDEKUMACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO/c16-12-6-11(7-13(18)8-12)15(17)10-1-2-14-9(5-10)3-4-19-14/h1-2,5-8,15H,3-4H2.
What are the key properties of 5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran?
5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran has a molecular weight of 341.61 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 63430473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).