1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone

C10H9BrF2O2 — CID 115782966

IUPAC1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone
SMILESCCOCC(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C10H9BrF2O2/c1-2-15-5-9(14)10-7(12)3-6(11)4-8(10)13/h3-4H,2,5H2,1H3
InChIKeyVGKCZGHIYXIBHY-UHFFFAOYSA-N
MW279.08 g/mol
LogP2.95
Rot. Bonds4

About 1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone

1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone (PubChem CID 115782966) has the molecular formula C10H9BrF2O2 and a molecular weight of 279.08 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone
PubChem CID115782966
Molecular FormulaC10H9BrF2O2
Molecular Weight279.08 g/mol
Exact Mass277.98
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone
SMILESCCOCC(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C10H9BrF2O2/c1-2-15-5-9(14)10-7(12)3-6(11)4-8(10)13/h3-4H,2,5H2,1H3
InChIKeyVGKCZGHIYXIBHY-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone
CID 115782948
1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone
CID 146011181
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanone
CID 114885507
1-(4-bromo-2-fluoro-6-methylphenyl)-2,2-diethoxyethanone
CID 177064336
1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-one
CID 114976545
1-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one
CID 90298147
1-(2,4-difluoro-5-methylphenyl)-2-ethoxyethanone
CID 115783021
1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone
CID 115782953
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone
CID 114971145
1-(4-bromo-2,6-difluorophenyl)-2-cyclopentylethanone
CID 114969301
2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 115783034
1-(5-bromo-4-methylthiophen-2-yl)-2-ethoxyethanone
CID 115782885

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone (CID 115782966) is 1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone is CCOCC(=O)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone?
The InChIKey is VGKCZGHIYXIBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O2/c1-2-15-5-9(14)10-7(12)3-6(11)4-8(10)13/h3-4H,2,5H2,1H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone?
1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone has a molecular weight of 279.08 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone is sourced from PubChem (CID 115782966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).