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

C13H9Br2FO — CID 114672951

IUPAC4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene
SMILESFc1ccc(Br)cc1OCc1ccccc1Br
InChIInChI=1S/C13H9Br2FO/c14-10-5-6-12(16)13(7-10)17-8-9-3-1-2-4-11(9)15/h1-7H,8H2
InChIKeyYCGHEALSNJFROQ-UHFFFAOYSA-N
MW360.02 g/mol
LogP4.93
Rot. Bonds3

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

4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene (PubChem CID 114672951) has the molecular formula C13H9Br2FO and a molecular weight of 360.02 g/mol. Its IUPAC name is 4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene.

Molecular Properties

Compound Name4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene
PubChem CID114672951
Molecular FormulaC13H9Br2FO
Molecular Weight360.02 g/mol
Exact Mass357.90
IUPAC Name4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene
SMILESFc1ccc(Br)cc1OCc1ccccc1Br
InChIInChI=1S/C13H9Br2FO/c14-10-5-6-12(16)13(7-10)17-8-9-3-1-2-4-11(9)15/h1-7H,8H2
InChIKeyYCGHEALSNJFROQ-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

1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 114676917
1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene
CID 146004192
N-[[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 114676831
1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 114849366
2-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-ethylethanamine
CID 114676958
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine
CID 102946671
2-[(5-bromo-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 114671796
[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
CID 82828276
[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine
CID 43531303
(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
CID 55189545
1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457986

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene?
The IUPAC name of 4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene (CID 114672951) is 4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene.
What is the SMILES notation for 4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene?
The canonical SMILES for 4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene is Fc1ccc(Br)cc1OCc1ccccc1Br.
What is the InChIKey of 4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene?
The InChIKey is YCGHEALSNJFROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FO/c14-10-5-6-12(16)13(7-10)17-8-9-3-1-2-4-11(9)15/h1-7H,8H2.
What are the key properties of 4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene?
4-bromo-2-[(2-bromophenyl)methoxy]-1-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 4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene is sourced from PubChem (CID 114672951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).