1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone

C9H6BrF3O2 — CID 164894872

IUPAC1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone
SMILESCOc1ccc(Br)c(C(=O)C(F)F)c1F
InChIInChI=1S/C9H6BrF3O2/c1-15-5-3-2-4(10)6(7(5)11)8(14)9(12)13/h2-3,9H,1H3
InChIKeyRDWJBZIWTVYUMA-UHFFFAOYSA-N
MW283.04 g/mol
LogP3.04
Rot. Bonds3

About 1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone

1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone (PubChem CID 164894872) has the molecular formula C9H6BrF3O2 and a molecular weight of 283.04 g/mol. Its IUPAC name is 1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone
PubChem CID164894872
Molecular FormulaC9H6BrF3O2
Molecular Weight283.04 g/mol
Exact Mass281.95
IUPAC Name1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone
SMILESCOc1ccc(Br)c(C(=O)C(F)F)c1F
InChIInChI=1S/C9H6BrF3O2/c1-15-5-3-2-4(10)6(7(5)11)8(14)9(12)13/h2-3,9H,1H3
InChIKeyRDWJBZIWTVYUMA-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.04
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 6-bromo-2-fluoro-3-methoxybenzoate
CID 67053695
1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone
CID 103513706
6-bromo-2-fluoro-3-methoxybenzenethiol
CID 171005747
6-bromo-2,3-dimethoxybenzoic acid
CID 11054430
2-fluoro-3-methoxy-N,6-dimethylbenzamide
CID 143990070
2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone
CID 103513670
1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one
CID 58180939
1-(6-bromo-2-chloro-3-methoxyphenyl)-2,2,2-trifluoroethanone
CID 171368036
methyl 2-amino-6-bromo-3-methoxybenzoate
CID 61070417
2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one
CID 84709286
2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone
CID 102137910
methyl 6-bromo-3-(2,2-difluoroethoxy)-2-methylbenzoate
CID 171369237

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone?
The IUPAC name of 1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone (CID 164894872) is 1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone?
The canonical SMILES for 1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone is COc1ccc(Br)c(C(=O)C(F)F)c1F.
What is the InChIKey of 1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone?
The InChIKey is RDWJBZIWTVYUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3O2/c1-15-5-3-2-4(10)6(7(5)11)8(14)9(12)13/h2-3,9H,1H3.
What are the key properties of 1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone?
1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone has a molecular weight of 283.04 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone is sourced from PubChem (CID 164894872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).