2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene

C13H9Br2FO — CID 29278100

IUPAC2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene
SMILESFc1ccc(OCc2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C13H9Br2FO/c14-10-3-1-9(2-4-10)8-17-13-6-5-11(16)7-12(13)15/h1-7H,8H2
InChIKeySGIOGCYQYMRZNZ-UHFFFAOYSA-N
MW360.02 g/mol
LogP4.93
Rot. Bonds3

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

2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene (PubChem CID 29278100) has the molecular formula C13H9Br2FO and a molecular weight of 360.02 g/mol. Its IUPAC name is 2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene
PubChem CID29278100
Molecular FormulaC13H9Br2FO
Molecular Weight360.02 g/mol
Exact Mass357.90
IUPAC Name2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene
SMILESFc1ccc(OCc2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C13H9Br2FO/c14-10-3-1-9(2-4-10)8-17-13-6-5-11(16)7-12(13)15/h1-7H,8H2
InChIKeySGIOGCYQYMRZNZ-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.02
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
CID 55219072
4-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24526653
2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]propan-1-amine
CID 105350409
2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351399
2-bromo-1-[(3-chlorophenyl)methoxy]-4-fluorobenzene
CID 28548362
3-bromo-4-[(4-fluorophenyl)methoxy]benzoate
CID 8706894
5-[(2-bromo-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 107881036
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63046886
1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene
CID 59330950
4-[(2-bromo-4-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788489
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63045368
4-[(2-bromo-4-fluorophenoxy)methyl]-1-methoxy-2-nitrobenzene
CID 29272743

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene?
The IUPAC name of 2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene (CID 29278100) is 2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene is Fc1ccc(OCc2ccc(Br)cc2)c(Br)c1.
What is the InChIKey of 2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene?
The InChIKey is SGIOGCYQYMRZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FO/c14-10-3-1-9(2-4-10)8-17-13-6-5-11(16)7-12(13)15/h1-7H,8H2.
What are the key properties of 2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene?
2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene has a molecular weight of 360.02 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene is sourced from PubChem (CID 29278100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).