2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one

C10H9BrF2O2 — CID 18967825

IUPAC2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one
SMILESCOc1cc(F)c(C(=O)C(C)Br)c(F)c1
InChIInChI=1S/C10H9BrF2O2/c1-5(11)10(14)9-7(12)3-6(15-2)4-8(9)13/h3-5H,1-2H3
InChIKeyZVWFMDVXWDPLHC-UHFFFAOYSA-N
MW279.08 g/mol
LogP2.94
Rot. Bonds3

About 2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one

2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one (PubChem CID 18967825) has the molecular formula C10H9BrF2O2 and a molecular weight of 279.08 g/mol. Its IUPAC name is 2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one
PubChem CID18967825
Molecular FormulaC10H9BrF2O2
Molecular Weight279.08 g/mol
Exact Mass277.98
IUPAC Name2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one
SMILESCOc1cc(F)c(C(=O)C(C)Br)c(F)c1
InChIInChI=1S/C10H9BrF2O2/c1-5(11)10(14)9-7(12)3-6(15-2)4-8(9)13/h3-5H,1-2H3
InChIKeyZVWFMDVXWDPLHC-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluoro-4-methoxyphenyl)-3-methylbutan-1-one
CID 60965545
2-bromo-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-one
CID 62866207
(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187510
1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone
CID 171014376
1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one
CID 114032797
2-bromo-1-(2-chloro-6-fluoro-4-methoxyphenyl)ethanone
CID 86690850
(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785405
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
(3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 60965946
(2,6-difluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 54880508
(3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 104850995
2-bromo-1-[3-(chloromethyl)-5-methoxyphenyl]propan-1-one
CID 131346292

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one (CID 18967825) is 2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one is COc1cc(F)c(C(=O)C(C)Br)c(F)c1.
What is the InChIKey of 2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one?
The InChIKey is ZVWFMDVXWDPLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O2/c1-5(11)10(14)9-7(12)3-6(15-2)4-8(9)13/h3-5H,1-2H3.
What are the key properties of 2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one?
2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one has a molecular weight of 279.08 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 18967825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).