1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene

C13H9BrF2O — CID 60731007

IUPAC1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
SMILESFc1ccc(OCc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C13H9BrF2O/c14-10-3-1-2-9(6-10)8-17-13-5-4-11(15)7-12(13)16/h1-7H,8H2
InChIKeyDLHJAUYMVVWLOO-UHFFFAOYSA-N
MW299.11 g/mol
LogP4.31
Rot. Bonds3

About 1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene

1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene (PubChem CID 60731007) has the molecular formula C13H9BrF2O and a molecular weight of 299.11 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
PubChem CID60731007
Molecular FormulaC13H9BrF2O
Molecular Weight299.11 g/mol
Exact Mass297.98
IUPAC Name1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
SMILESFc1ccc(OCc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C13H9BrF2O/c14-10-3-1-2-9(6-10)8-17-13-5-4-11(15)7-12(13)16/h1-7H,8H2
InChIKeyDLHJAUYMVVWLOO-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

1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene
CID 55145542
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
CID 82824039
1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene
CID 82824297
1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823693
4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
CID 107691116
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide
CID 55596434
2-bromo-1-[(3-chlorophenyl)methoxy]-4-fluorobenzene
CID 28548362
4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
CID 107284187
2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide
CID 82831786
3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
CID 24704765
1-[[3-[(2,4-difluorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine
CID 169384938

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene?
The IUPAC name of 1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene (CID 60731007) is 1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene.
What is the SMILES notation for 1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene?
The canonical SMILES for 1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene is Fc1ccc(OCc2cccc(Br)c2)c(F)c1.
What is the InChIKey of 1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene?
The InChIKey is DLHJAUYMVVWLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2O/c14-10-3-1-2-9(6-10)8-17-13-5-4-11(15)7-12(13)16/h1-7H,8H2.
What are the key properties of 1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene?
1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene 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-[(3-bromophenyl)methoxy]-2,4-difluorobenzene is sourced from PubChem (CID 60731007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).