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

C13H8Br2F2O — CID 55219072

IUPAC2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
SMILESFc1ccc(OCc2ccc(F)c(Br)c2)c(Br)c1
InChIInChI=1S/C13H8Br2F2O/c14-10-5-8(1-3-12(10)17)7-18-13-4-2-9(16)6-11(13)15/h1-6H,7H2
InChIKeyUPDUIIXNYCELNT-UHFFFAOYSA-N
MW378.01 g/mol
LogP5.07
Rot. Bonds3

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

2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene (PubChem CID 55219072) has the molecular formula C13H8Br2F2O and a molecular weight of 378.01 g/mol. Its IUPAC name is 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
PubChem CID55219072
Molecular FormulaC13H8Br2F2O
Molecular Weight378.01 g/mol
Exact Mass375.89
IUPAC Name2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
SMILESFc1ccc(OCc2ccc(F)c(Br)c2)c(Br)c1
InChIInChI=1S/C13H8Br2F2O/c14-10-5-8(1-3-12(10)17)7-18-13-4-2-9(16)6-11(13)15/h1-6H,7H2
InChIKeyUPDUIIXNYCELNT-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

Analyze 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534718
[2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107695003
2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene
CID 29278100
5-[(2-bromo-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 107881036
2-bromo-1-[(3-chlorophenyl)methoxy]-4-fluorobenzene
CID 28548362
1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 63457062
2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid
CID 107014211
2-bromo-4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-fluorobenzene
CID 63534999
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692866
4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorobenzonitrile
CID 107667707
4-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24526653
[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol
CID 114320554

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene?
The IUPAC name of 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene (CID 55219072) is 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene is Fc1ccc(OCc2ccc(F)c(Br)c2)c(Br)c1.
What is the InChIKey of 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene?
The InChIKey is UPDUIIXNYCELNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2F2O/c14-10-5-8(1-3-12(10)17)7-18-13-4-2-9(16)6-11(13)15/h1-6H,7H2.
What are the key properties of 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene?
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-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-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene is sourced from PubChem (CID 55219072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).