2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene

C16H15Br2FO — CID 104661676

IUPAC2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene
SMILESCCOc1ccc(C(Br)Cc2cccc(F)c2)cc1Br
InChIInChI=1S/C16H15Br2FO/c1-2-20-16-7-6-12(10-15(16)18)14(17)9-11-4-3-5-13(19)8-11/h3-8,10,14H,2,9H2,1H3
InChIKeyGMXLUGMGBSDDKD-UHFFFAOYSA-N
MW402.10 g/mol
LogP5.67
Rot. Bonds5

About 2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene

2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene (PubChem CID 104661676) has the molecular formula C16H15Br2FO and a molecular weight of 402.10 g/mol. Its IUPAC name is 2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene
PubChem CID104661676
Molecular FormulaC16H15Br2FO
Molecular Weight402.10 g/mol
Exact Mass399.95
IUPAC Name2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene
SMILESCCOc1ccc(C(Br)Cc2cccc(F)c2)cc1Br
InChIInChI=1S/C16H15Br2FO/c1-2-20-16-7-6-12(10-15(16)18)14(17)9-11-4-3-5-13(19)8-11/h3-8,10,14H,2,9H2,1H3
InChIKeyGMXLUGMGBSDDKD-UHFFFAOYSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.10
LogP ≤ 55.67
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-4-[1-bromo-2-(3-methylphenyl)ethyl]-1-ethoxybenzene
CID 104661726
1-[2-bromo-2-(4-butoxyphenyl)ethyl]-3-fluorobenzene
CID 63543665
4-(1-bromo-2-phenylethyl)-1,2-diethoxybenzene
CID 63442286
1-[1-bromo-2-(3-fluorophenyl)ethyl]-4-propylbenzene
CID 63440508
1-bromo-3-[bromo-(3-bromo-4-ethoxyphenyl)methyl]-5-fluorobenzene
CID 104661793
2-bromo-4-[1-chloro-2-(3-methylphenyl)ethyl]-1-ethoxybenzene
CID 104661522
1-bromo-5-[1-bromo-2-(3-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103396441
2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
CID 104661738
1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 104661137
1-[2-bromo-2-(4-tert-butylphenyl)ethyl]-3-fluorobenzene
CID 63439710
1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 104657422
2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene
CID 104661595

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene?
The IUPAC name of 2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene (CID 104661676) is 2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene.
What is the SMILES notation for 2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene?
The canonical SMILES for 2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene is CCOc1ccc(C(Br)Cc2cccc(F)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene?
The InChIKey is GMXLUGMGBSDDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2FO/c1-2-20-16-7-6-12(10-15(16)18)14(17)9-11-4-3-5-13(19)8-11/h3-8,10,14H,2,9H2,1H3.
What are the key properties of 2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene?
2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene has a molecular weight of 402.10 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene is sourced from PubChem (CID 104661676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).