4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene

C10H12BrFO — CID 84706055

IUPAC4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1C(C)(C)F
InChIInChI=1S/C10H12BrFO/c1-10(2,12)8-6-7(11)4-5-9(8)13-3/h4-6H,1-3H3
InChIKeyZIDBMIIJAIIBQY-UHFFFAOYSA-N
MW247.11 g/mol
LogP3.66
Rot. Bonds2

About 4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene

4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene (PubChem CID 84706055) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is 4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene
PubChem CID84706055
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1C(C)(C)F
InChIInChI=1S/C10H12BrFO/c1-10(2,12)8-6-7(11)4-5-9(8)13-3/h4-6H,1-3H3
InChIKeyZIDBMIIJAIIBQY-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 73427434
(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol
CID 93189117
1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine
CID 83844871
5-(5-bromo-2-methoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid
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3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol
CID 82306729
1-(5-bromo-2-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 79743336
2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 115133750
2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol
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3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565229
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CID 61101686

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene?
The IUPAC name of 4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene (CID 84706055) is 4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene is COc1ccc(Br)cc1C(C)(C)F.
What is the InChIKey of 4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene?
The InChIKey is ZIDBMIIJAIIBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO/c1-10(2,12)8-6-7(11)4-5-9(8)13-3/h4-6H,1-3H3.
What are the key properties of 4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene?
4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene has a molecular weight of 247.11 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene is sourced from PubChem (CID 84706055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).