1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene

C13H8BrF3O — CID 63457062

IUPAC1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene
SMILESFc1ccc(COc2cccc(F)c2F)cc1Br
InChIInChI=1S/C13H8BrF3O/c14-9-6-8(4-5-10(9)15)7-18-12-3-1-2-11(16)13(12)17/h1-6H,7H2
InChIKeyKIWBRZQNYFQJGQ-UHFFFAOYSA-N
MW317.10 g/mol
LogP4.45
Rot. Bonds3

About 1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene

1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene (PubChem CID 63457062) has the molecular formula C13H8BrF3O and a molecular weight of 317.10 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene
PubChem CID63457062
Molecular FormulaC13H8BrF3O
Molecular Weight317.10 g/mol
Exact Mass315.97
IUPAC Name1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene
SMILESFc1ccc(COc2cccc(F)c2F)cc1Br
InChIInChI=1S/C13H8BrF3O/c14-9-6-8(4-5-10(9)15)7-18-12-3-1-2-11(16)13(12)17/h1-6H,7H2
InChIKeyKIWBRZQNYFQJGQ-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.10
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-[(2,3-difluorophenoxy)methyl]aniline
CID 115557545
1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene
CID 55145542
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
CID 55219072
[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879019
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534718
[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]boronic acid
CID 63036438
[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol
CID 114320554
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321473
[2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107695003
1-[(3-bromo-4-fluorophenyl)methoxy]-2-methyl-3-nitrobenzene
CID 63456882
8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 63423959
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692866

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene (CID 63457062) is 1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene is Fc1ccc(COc2cccc(F)c2F)cc1Br.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene?
The InChIKey is KIWBRZQNYFQJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3O/c14-9-6-8(4-5-10(9)15)7-18-12-3-1-2-11(16)13(12)17/h1-6H,7H2.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene?
1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene has a molecular weight of 317.10 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene is sourced from PubChem (CID 63457062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).