2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan

C12H8Br2Cl2O — CID 63530606

IUPAC2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan
SMILESClc1ccc(CC(Br)c2ccc(Br)o2)cc1Cl
InChIInChI=1S/C12H8Br2Cl2O/c13-8(11-3-4-12(14)17-11)5-7-1-2-9(15)10(16)6-7/h1-4,6,8H,5H2
InChIKeyTYZOXLWDHKRYOQ-UHFFFAOYSA-N
MW398.91 g/mol
LogP6.03
Rot. Bonds3

About 2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan

2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan (PubChem CID 63530606) has the molecular formula C12H8Br2Cl2O and a molecular weight of 398.91 g/mol. Its IUPAC name is 2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan.

Molecular Properties

Compound Name2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan
PubChem CID63530606
Molecular FormulaC12H8Br2Cl2O
Molecular Weight398.91 g/mol
Exact Mass395.83
IUPAC Name2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan
SMILESClc1ccc(CC(Br)c2ccc(Br)o2)cc1Cl
InChIInChI=1S/C12H8Br2Cl2O/c13-8(11-3-4-12(14)17-11)5-7-1-2-9(15)10(16)6-7/h1-4,6,8H,5H2
InChIKeyTYZOXLWDHKRYOQ-UHFFFAOYSA-N
XLogP6.03
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.91
LogP ≤ 56.03
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

2-bromo-5-(1-bromo-2-phenylethyl)furan
CID 63018566
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene
CID 107993456
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63437197
1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene
CID 63529429
2-bromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]furan
CID 63530053
2-[1-bromo-2-(4-bromophenyl)ethyl]-5-chlorofuran
CID 106689779
4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene
CID 63437434
2-bromo-5-[1-bromo-2-(4-nitrophenyl)ethyl]furan
CID 63017990
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene
CID 55224478
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-methylbenzene
CID 113396997
2-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-5-chlorofuran
CID 106689774
1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103042976

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan?
The IUPAC name of 2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan (CID 63530606) is 2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan.
What is the SMILES notation for 2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan?
The canonical SMILES for 2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan is Clc1ccc(CC(Br)c2ccc(Br)o2)cc1Cl.
What is the InChIKey of 2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan?
The InChIKey is TYZOXLWDHKRYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2Cl2O/c13-8(11-3-4-12(14)17-11)5-7-1-2-9(15)10(16)6-7/h1-4,6,8H,5H2.
What are the key properties of 2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan?
2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan has a molecular weight of 398.91 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan is sourced from PubChem (CID 63530606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).