4-bromo-2-(difluoromethoxy)-3-fluorophenol

C7H4BrF3O2 — CID 118834241

IUPAC4-bromo-2-(difluoromethoxy)-3-fluorophenol
SMILESOc1ccc(Br)c(F)c1OC(F)F
InChIInChI=1S/C7H4BrF3O2/c8-3-1-2-4(12)6(5(3)9)13-7(10)11/h1-2,7,12H
InChIKeyATXATEINLIXTKE-UHFFFAOYSA-N
MW257.00 g/mol
LogP2.90
Rot. Bonds2

About 4-bromo-2-(difluoromethoxy)-3-fluorophenol

4-bromo-2-(difluoromethoxy)-3-fluorophenol (PubChem CID 118834241) has the molecular formula C7H4BrF3O2 and a molecular weight of 257.00 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethoxy)-3-fluorophenol.

Molecular Properties

Compound Name4-bromo-2-(difluoromethoxy)-3-fluorophenol
PubChem CID118834241
Molecular FormulaC7H4BrF3O2
Molecular Weight257.00 g/mol
Exact Mass255.93
IUPAC Name4-bromo-2-(difluoromethoxy)-3-fluorophenol
SMILESOc1ccc(Br)c(F)c1OC(F)F
InChIInChI=1S/C7H4BrF3O2/c8-3-1-2-4(12)6(5(3)9)13-7(10)11/h1-2,7,12H
InChIKeyATXATEINLIXTKE-UHFFFAOYSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.00
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-(difluoromethoxy)-2-fluoro-4-nitrobenzene
CID 118813557
[3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol
CID 118141988
1-bromo-3-(bromomethyl)-4-(difluoromethoxy)-2-fluorobenzene
CID 118141950
2-(difluoromethoxy)-3,4-dimethylphenol
CID 131190309
4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol
CID 54022068
1,4-dibromo-2-(difluoromethoxy)-3-iodobenzene
CID 118813499
1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene
CID 131188890
1,3-dibromo-4-(chloromethyl)-2-(difluoromethoxy)benzene
CID 118990809
2-(1-aminoethyl)-4-bromo-3-fluorophenol
CID 84697321
methyl 2-[3,6-dibromo-2-(difluoromethoxy)phenyl]acetate
CID 134634806
1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
CID 118852546
1-bromo-2-(difluoromethoxy)-4-fluoro-3-nitrobenzene
CID 118841609

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethoxy)-3-fluorophenol?
The IUPAC name of 4-bromo-2-(difluoromethoxy)-3-fluorophenol (CID 118834241) is 4-bromo-2-(difluoromethoxy)-3-fluorophenol.
What is the SMILES notation for 4-bromo-2-(difluoromethoxy)-3-fluorophenol?
The canonical SMILES for 4-bromo-2-(difluoromethoxy)-3-fluorophenol is Oc1ccc(Br)c(F)c1OC(F)F.
What is the InChIKey of 4-bromo-2-(difluoromethoxy)-3-fluorophenol?
The InChIKey is ATXATEINLIXTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3O2/c8-3-1-2-4(12)6(5(3)9)13-7(10)11/h1-2,7,12H.
What are the key properties of 4-bromo-2-(difluoromethoxy)-3-fluorophenol?
4-bromo-2-(difluoromethoxy)-3-fluorophenol has a molecular weight of 257.00 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethoxy)-3-fluorophenol is sourced from PubChem (CID 118834241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).