2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene

C13H8BrF3O — CID 113220141

IUPAC2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene
SMILESFc1ccc(COc2c(F)cccc2F)c(Br)c1
InChIInChI=1S/C13H8BrF3O/c14-10-6-9(15)5-4-8(10)7-18-13-11(16)2-1-3-12(13)17/h1-6H,7H2
InChIKeyOJLHYPSLGCCJLD-UHFFFAOYSA-N
MW317.10 g/mol
LogP4.45
Rot. Bonds3

About 2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene

2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene (PubChem CID 113220141) has the molecular formula C13H8BrF3O and a molecular weight of 317.10 g/mol. Its IUPAC name is 2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene
PubChem CID113220141
Molecular FormulaC13H8BrF3O
Molecular Weight317.10 g/mol
Exact Mass315.97
IUPAC Name2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene
SMILESFc1ccc(COc2c(F)cccc2F)c(Br)c1
InChIInChI=1S/C13H8BrF3O/c14-10-6-9(15)5-4-8(10)7-18-13-11(16)2-1-3-12(13)17/h1-6H,7H2
InChIKeyOJLHYPSLGCCJLD-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

1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958703
1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene
CID 63535034
3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde
CID 55222594
[2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112612374
methyl 3-bromo-4-[(2,6-difluorophenoxy)methyl]benzoate
CID 102765577
2-bromo-1-[(4-chlorophenoxy)methyl]-4-fluorobenzene
CID 63457531
2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid
CID 115955941
3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide
CID 107873441
1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene
CID 112614047
1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene
CID 55192230
1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908405
2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline
CID 104831279

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene?
The IUPAC name of 2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene (CID 113220141) is 2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene is Fc1ccc(COc2c(F)cccc2F)c(Br)c1.
What is the InChIKey of 2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene?
The InChIKey is OJLHYPSLGCCJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3O/c14-10-6-9(15)5-4-8(10)7-18-13-11(16)2-1-3-12(13)17/h1-6H,7H2.
What are the key properties of 2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene?
2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene 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 2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene is sourced from PubChem (CID 113220141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).