1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene

C13H9BrF2O — CID 79020415

IUPAC1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene
SMILESFc1ccc(Br)c(OCc2ccccc2F)c1
InChIInChI=1S/C13H9BrF2O/c14-11-6-5-10(15)7-13(11)17-8-9-3-1-2-4-12(9)16/h1-7H,8H2
InChIKeyLKGROMWHTOBXOX-UHFFFAOYSA-N
MW299.11 g/mol
LogP4.31
Rot. Bonds3

About 1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene

1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene (PubChem CID 79020415) has the molecular formula C13H9BrF2O and a molecular weight of 299.11 g/mol. Its IUPAC name is 1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene
PubChem CID79020415
Molecular FormulaC13H9BrF2O
Molecular Weight299.11 g/mol
Exact Mass297.98
IUPAC Name1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene
SMILESFc1ccc(Br)c(OCc2ccccc2F)c1
InChIInChI=1S/C13H9BrF2O/c14-11-6-5-10(15)7-13(11)17-8-9-3-1-2-4-12(9)16/h1-7H,8H2
InChIKeyLKGROMWHTOBXOX-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene?
The IUPAC name of 1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene (CID 79020415) is 1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene?
The canonical SMILES for 1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene is Fc1ccc(Br)c(OCc2ccccc2F)c1.
What is the InChIKey of 1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene?
The InChIKey is LKGROMWHTOBXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2O/c14-11-6-5-10(15)7-13(11)17-8-9-3-1-2-4-12(9)16/h1-7H,8H2.
What are the key properties of 1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene?
1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene has a molecular weight of 299.11 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 79020415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).