4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol

C12H6Br2F2O2 — CID 54022068

IUPAC4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol
SMILESOc1ccc(Br)c(F)c1Oc1cc(Br)ccc1F
InChIInChI=1S/C12H6Br2F2O2/c13-6-1-3-8(15)10(5-6)18-12-9(17)4-2-7(14)11(12)16/h1-5,17H
InChIKeyBTMZAOCEYPBYLH-UHFFFAOYSA-N
MW379.98 g/mol
LogP4.99
Rot. Bonds2

About 4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol

4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol (PubChem CID 54022068) has the molecular formula C12H6Br2F2O2 and a molecular weight of 379.98 g/mol. Its IUPAC name is 4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol.

Molecular Properties

Compound Name4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol
PubChem CID54022068
Molecular FormulaC12H6Br2F2O2
Molecular Weight379.98 g/mol
Exact Mass377.87
IUPAC Name4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol
SMILESOc1ccc(Br)c(F)c1Oc1cc(Br)ccc1F
InChIInChI=1S/C12H6Br2F2O2/c13-6-1-3-8(15)10(5-6)18-12-9(17)4-2-7(14)11(12)16/h1-5,17H
InChIKeyBTMZAOCEYPBYLH-UHFFFAOYSA-N
XLogP4.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.98
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(difluoromethoxy)-3-fluorophenol
CID 118834241
4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 114673566
2,4-dibromo-3-(2,4-dibromophenoxy)phenol
CID 139597677
4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline
CID 114671642
N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 114674405
1,2,3,4,5-pentabromo-6-(2,5-dibromophenoxy)benzene
CID 71362095
3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine
CID 114673272
1,4-dibromo-2-(2,5-dibromophenoxy)benzene
CID 19792406
5-bromo-2-(5-bromo-2-fluorophenoxy)benzenecarbothioamide
CID 114892303
4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
CID 86627693
1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
CID 99716802
4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 114673155

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol?
The IUPAC name of 4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol (CID 54022068) is 4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol.
What is the SMILES notation for 4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol?
The canonical SMILES for 4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol is Oc1ccc(Br)c(F)c1Oc1cc(Br)ccc1F.
What is the InChIKey of 4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol?
The InChIKey is BTMZAOCEYPBYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2F2O2/c13-6-1-3-8(15)10(5-6)18-12-9(17)4-2-7(14)11(12)16/h1-5,17H.
What are the key properties of 4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol?
4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol has a molecular weight of 379.98 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol is sourced from PubChem (CID 54022068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).