4-bromo-2-(difluoromethoxy)-1-methylbenzene

C8H7BrF2O — CID 45158712

IUPAC4-bromo-2-(difluoromethoxy)-1-methylbenzene
SMILESCc1ccc(Br)cc1OC(F)F
InChIInChI=1S/C8H7BrF2O/c1-5-2-3-6(9)4-7(5)12-8(10)11/h2-4,8H,1H3
InChIKeyAAYODEGIJDRGHY-UHFFFAOYSA-N
MW237.04 g/mol
LogP3.36
Rot. Bonds2

About 4-bromo-2-(difluoromethoxy)-1-methylbenzene

4-bromo-2-(difluoromethoxy)-1-methylbenzene (PubChem CID 45158712) has the molecular formula C8H7BrF2O and a molecular weight of 237.04 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethoxy)-1-methylbenzene.

Molecular Properties

Compound Name4-bromo-2-(difluoromethoxy)-1-methylbenzene
PubChem CID45158712
Molecular FormulaC8H7BrF2O
Molecular Weight237.04 g/mol
Exact Mass235.96
IUPAC Name4-bromo-2-(difluoromethoxy)-1-methylbenzene
SMILESCc1ccc(Br)cc1OC(F)F
InChIInChI=1S/C8H7BrF2O/c1-5-2-3-6(9)4-7(5)12-8(10)11/h2-4,8H,1H3
InChIKeyAAYODEGIJDRGHY-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-bis(difluoromethoxy)-1-methylbenzene
CID 58550750
4-bromo-2-butan-2-yloxy-1-methylbenzene
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ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate
CID 107283157
4-bromo-2-chloro-1-(difluoromethoxy)benzene
CID 46311538
2-(5-bromo-2-methylphenoxy)propanethioamide
CID 107283881
2-(5-bromo-2-methylphenoxy)-3-methylbutanoic acid
CID 107283135
4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane
CID 143646711
4-bromo-2-(difluoromethoxy)-N-methylbenzamide
CID 170995658
2-(5-bromo-2-methylphenoxy)pentan-1-amine
CID 107286173
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline
CID 43765856
4-bromo-2-(2-chloroethoxy)-1-methylbenzene
CID 107283647
2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine
CID 107286034

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethoxy)-1-methylbenzene?
The IUPAC name of 4-bromo-2-(difluoromethoxy)-1-methylbenzene (CID 45158712) is 4-bromo-2-(difluoromethoxy)-1-methylbenzene.
What is the SMILES notation for 4-bromo-2-(difluoromethoxy)-1-methylbenzene?
The canonical SMILES for 4-bromo-2-(difluoromethoxy)-1-methylbenzene is Cc1ccc(Br)cc1OC(F)F.
What is the InChIKey of 4-bromo-2-(difluoromethoxy)-1-methylbenzene?
The InChIKey is AAYODEGIJDRGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2O/c1-5-2-3-6(9)4-7(5)12-8(10)11/h2-4,8H,1H3.
What are the key properties of 4-bromo-2-(difluoromethoxy)-1-methylbenzene?
4-bromo-2-(difluoromethoxy)-1-methylbenzene has a molecular weight of 237.04 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethoxy)-1-methylbenzene is sourced from PubChem (CID 45158712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).