1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene

C13H17Br2FO — CID 103396544

IUPAC1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene
SMILESCCC(CC)C(Br)c1cc(Br)c(F)cc1OC
InChIInChI=1S/C13H17Br2FO/c1-4-8(5-2)13(15)9-6-10(14)11(16)7-12(9)17-3/h6-8,13H,4-5H2,1-3H3
InChIKeyGHRWGBGSJILFEZ-UHFFFAOYSA-N
MW368.08 g/mol
LogP5.47
Rot. Bonds5

About 1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene

1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene (PubChem CID 103396544) has the molecular formula C13H17Br2FO and a molecular weight of 368.08 g/mol. Its IUPAC name is 1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene
PubChem CID103396544
Molecular FormulaC13H17Br2FO
Molecular Weight368.08 g/mol
Exact Mass365.96
IUPAC Name1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene
SMILESCCC(CC)C(Br)c1cc(Br)c(F)cc1OC
InChIInChI=1S/C13H17Br2FO/c1-4-8(5-2)13(15)9-6-10(14)11(16)7-12(9)17-3/h6-8,13H,4-5H2,1-3H3
InChIKeyGHRWGBGSJILFEZ-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.08
LogP ≤ 55.47
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

1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene
CID 105057365
1-bromo-5-[bromo-(2-methylcyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396390
1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine
CID 103394326
1-bromo-5-(1-chloro-2-phenylbutyl)-2-fluoro-4-methoxybenzene
CID 103396168
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
CID 103394558
3-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]bicyclo[3.1.0]hexane
CID 103396537
1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396453
1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
CID 69098703
1-bromo-5-[bromo-(2,6-difluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396481
1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine
CID 103394461
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 103394303
1-bromo-5-[1-bromo-3-(2,2-difluoroethoxy)propyl]-2-fluoro-4-methoxybenzene
CID 103396429

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene (CID 103396544) is 1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene is CCC(CC)C(Br)c1cc(Br)c(F)cc1OC.
What is the InChIKey of 1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene?
The InChIKey is GHRWGBGSJILFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2FO/c1-4-8(5-2)13(15)9-6-10(14)11(16)7-12(9)17-3/h6-8,13H,4-5H2,1-3H3.
What are the key properties of 1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene?
1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene has a molecular weight of 368.08 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 103396544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).