1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone

C10H9BrF2O3 — CID 103513706

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone
SMILESCOc1cc(C(=O)C(F)F)c(OC)cc1Br
InChIInChI=1S/C10H9BrF2O3/c1-15-7-4-6(11)8(16-2)3-5(7)9(14)10(12)13/h3-4,10H,1-2H3
InChIKeyCFVWDZVJFASDCR-UHFFFAOYSA-N
MW295.08 g/mol
LogP2.91
Rot. Bonds4

About 1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone

1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone (PubChem CID 103513706) has the molecular formula C10H9BrF2O3 and a molecular weight of 295.08 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone
PubChem CID103513706
Molecular FormulaC10H9BrF2O3
Molecular Weight295.08 g/mol
Exact Mass293.97
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone
SMILESCOc1cc(C(=O)C(F)F)c(OC)cc1Br
InChIInChI=1S/C10H9BrF2O3/c1-15-7-4-6(11)8(16-2)3-5(7)9(14)10(12)13/h3-4,10H,1-2H3
InChIKeyCFVWDZVJFASDCR-UHFFFAOYSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2,4-dimethoxyphenyl)-2-chloropropan-1-one
CID 82050583
2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone
CID 86014406
(4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone
CID 105056470
methyl 2,4-dibromo-5-methoxybenzoate
CID 155293809
(4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 105056411
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 105056401
1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene
CID 103514676
1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one
CID 65439526
(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 105056482
1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone
CID 105056472
1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone
CID 164894872
4-bromo-5-methoxy-2-methylbenzoyl chloride
CID 171004599

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone (CID 103513706) is 1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone is COc1cc(C(=O)C(F)F)c(OC)cc1Br.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone?
The InChIKey is CFVWDZVJFASDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O3/c1-15-7-4-6(11)8(16-2)3-5(7)9(14)10(12)13/h3-4,10H,1-2H3.
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone?
1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone has a molecular weight of 295.08 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone is sourced from PubChem (CID 103513706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).