5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran

C15H11BrClFO — CID 107991858

IUPAC5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran
SMILESFc1cc(C(Br)c2ccc3c(c2)COC3)ccc1Cl
InChIInChI=1S/C15H11BrClFO/c16-15(10-3-4-13(17)14(18)6-10)9-1-2-11-7-19-8-12(11)5-9/h1-6,15H,7-8H2
InChIKeyYLIVLCQPASFLNA-UHFFFAOYSA-N
MW341.61 g/mol
LogP4.99
Rot. Bonds2

About 5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran

5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran (PubChem CID 107991858) has the molecular formula C15H11BrClFO and a molecular weight of 341.61 g/mol. Its IUPAC name is 5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran
PubChem CID107991858
Molecular FormulaC15H11BrClFO
Molecular Weight341.61 g/mol
Exact Mass339.97
IUPAC Name5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran
SMILESFc1cc(C(Br)c2ccc3c(c2)COC3)ccc1Cl
InChIInChI=1S/C15H11BrClFO/c16-15(10-3-4-13(17)14(18)6-10)9-1-2-11-7-19-8-12(11)5-9/h1-6,15H,7-8H2
InChIKeyYLIVLCQPASFLNA-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
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

6-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107991592
4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 107991747
5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran
CID 55144632
5-[bromo-(3,4-dimethylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 55144438
(2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 107477204
1-(3-chloro-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 82875403
6-[bromo-(4-chloro-3-fluorophenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 107991749
4-[bromo-(4-butan-2-ylphenyl)methyl]-1-chloro-2-fluorobenzene
CID 107991642
(2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 81045709
2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 63019201
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 63186146
(2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 81461442

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran (CID 107991858) is 5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran is Fc1cc(C(Br)c2ccc3c(c2)COC3)ccc1Cl.
What is the InChIKey of 5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran?
The InChIKey is YLIVLCQPASFLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO/c16-15(10-3-4-13(17)14(18)6-10)9-1-2-11-7-19-8-12(11)5-9/h1-6,15H,7-8H2.
What are the key properties of 5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran?
5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran has a molecular weight of 341.61 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 107991858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).