1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone

C15H11BrF2O2 — CID 106264072

IUPAC1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H11BrF2O2/c1-9(19)10-4-2-3-5-14(10)20-8-11-13(17)7-6-12(16)15(11)18/h2-7H,8H2,1H3
InChIKeyNLEJVVBUBJZJAZ-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.51
Rot. Bonds4

About 1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone

1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone (PubChem CID 106264072) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is 1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone
PubChem CID106264072
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H11BrF2O2/c1-9(19)10-4-2-3-5-14(10)20-8-11-13(17)7-6-12(16)15(11)18/h2-7H,8H2,1H3
InChIKeyNLEJVVBUBJZJAZ-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide
CID 106264677
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine
CID 106269112
1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 106269159
3-[(3-bromo-2,6-difluorophenyl)methoxy]-2-methylaniline
CID 106262816
5-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzenecarbothioamide
CID 106264053
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
2-bromo-3-[(3-bromo-2,6-difluorophenyl)methoxy]aniline
CID 106262844
1-bromo-2,4-difluoro-3-[(2,4,5-trichlorophenoxy)methyl]benzene
CID 106269847
1-bromo-3-[(5-bromo-2,3-difluorophenoxy)methyl]-2,4-difluorobenzene
CID 106264121
1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone
CID 63565850
2-[(3-bromo-2,6-difluorophenyl)methoxy]-4,5-dichloroaniline
CID 106262854

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone (CID 106264072) is 1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone is CC(=O)c1ccccc1OCc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone?
The InChIKey is NLEJVVBUBJZJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c1-9(19)10-4-2-3-5-14(10)20-8-11-13(17)7-6-12(16)15(11)18/h2-7H,8H2,1H3.
What are the key properties of 1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone?
1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone has a molecular weight of 341.15 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 106264072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).