1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene

C11H14BrFO2 — CID 59135186

IUPAC1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene
SMILESCOc1cc(Br)c(C(C)C)c(F)c1OC
InChIInChI=1S/C11H14BrFO2/c1-6(2)9-7(12)5-8(14-3)11(15-4)10(9)13/h5-6H,1-4H3
InChIKeyCGAGUPNDBVJZCW-UHFFFAOYSA-N
MW277.13 g/mol
LogP3.73
Rot. Bonds3

About 1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene

1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene (PubChem CID 59135186) has the molecular formula C11H14BrFO2 and a molecular weight of 277.13 g/mol. Its IUPAC name is 1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene
PubChem CID59135186
Molecular FormulaC11H14BrFO2
Molecular Weight277.13 g/mol
Exact Mass276.02
IUPAC Name1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene
SMILESCOc1cc(Br)c(C(C)C)c(F)c1OC
InChIInChI=1S/C11H14BrFO2/c1-6(2)9-7(12)5-8(14-3)11(15-4)10(9)13/h5-6H,1-4H3
InChIKeyCGAGUPNDBVJZCW-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474366
3-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)butanal
CID 117490424
1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine
CID 117499483
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine
CID 117465253
2-amino-1-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)ethanol
CID 117474367
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol
CID 117467054
1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol
CID 84714942
2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol
CID 117473013
1-bromo-3-fluoro-2-(isocyanatomethyl)-4,5-dimethoxybenzene
CID 117468113
1-[(6-bromo-2-fluoro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117489103
2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine
CID 117471666
2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol
CID 117468539

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene?
The IUPAC name of 1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene (CID 59135186) is 1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene.
What is the SMILES notation for 1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene?
The canonical SMILES for 1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene is COc1cc(Br)c(C(C)C)c(F)c1OC.
What is the InChIKey of 1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene?
The InChIKey is CGAGUPNDBVJZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO2/c1-6(2)9-7(12)5-8(14-3)11(15-4)10(9)13/h5-6H,1-4H3.
What are the key properties of 1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene?
1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene has a molecular weight of 277.13 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene is sourced from PubChem (CID 59135186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).