2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene

C13H8Br2F2O — CID 83233544

IUPAC2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene
SMILESFc1ccc(OCc2cc(Br)ccc2F)cc1Br
InChIInChI=1S/C13H8Br2F2O/c14-9-1-3-12(16)8(5-9)7-18-10-2-4-13(17)11(15)6-10/h1-6H,7H2
InChIKeyOKJJILLMPKSACL-UHFFFAOYSA-N
MW378.01 g/mol
LogP5.07
Rot. Bonds3

About 2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene

2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene (PubChem CID 83233544) has the molecular formula C13H8Br2F2O and a molecular weight of 378.01 g/mol. Its IUPAC name is 2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene
PubChem CID83233544
Molecular FormulaC13H8Br2F2O
Molecular Weight378.01 g/mol
Exact Mass375.89
IUPAC Name2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene
SMILESFc1ccc(OCc2cc(Br)ccc2F)cc1Br
InChIInChI=1S/C13H8Br2F2O/c14-9-1-3-12(16)8(5-9)7-18-10-2-4-13(17)11(15)6-10/h1-6H,7H2
InChIKeyOKJJILLMPKSACL-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.01
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-[(5-bromo-2-methoxyphenyl)methoxy]-1-fluorobenzene
CID 83233054
2-bromo-1-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707288
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline
CID 114252418
1-[3-[(3-bromo-4-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457922
(1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107720483
1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene
CID 83233067
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78978251
1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 30057894
1,3-dibromo-2-[(5-bromo-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745416
2-[(3-bromo-4-fluorophenoxy)methyl]benzoic acid
CID 83233799

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene?
The IUPAC name of 2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene (CID 83233544) is 2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene is Fc1ccc(OCc2cc(Br)ccc2F)cc1Br.
What is the InChIKey of 2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene?
The InChIKey is OKJJILLMPKSACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2F2O/c14-9-1-3-12(16)8(5-9)7-18-10-2-4-13(17)11(15)6-10/h1-6H,7H2.
What are the key properties of 2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene?
2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene has a molecular weight of 378.01 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene is sourced from PubChem (CID 83233544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).