1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone

C15H10BrF3O2 — CID 103394235

IUPAC1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone
SMILESCOc1cc(F)c(Br)cc1C(=O)Cc1c(F)cccc1F
InChIInChI=1S/C15H10BrF3O2/c1-21-15-7-13(19)10(16)5-9(15)14(20)6-8-11(17)3-2-4-12(8)18/h2-5,7H,6H2,1H3
InChIKeyDXWAKZPOXFZKIY-UHFFFAOYSA-N
MW359.14 g/mol
LogP4.30
Rot. Bonds4

About 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone

1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone (PubChem CID 103394235) has the molecular formula C15H10BrF3O2 and a molecular weight of 359.14 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone
PubChem CID103394235
Molecular FormulaC15H10BrF3O2
Molecular Weight359.14 g/mol
Exact Mass357.98
IUPAC Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone
SMILESCOc1cc(F)c(Br)cc1C(=O)Cc1c(F)cccc1F
InChIInChI=1S/C15H10BrF3O2/c1-21-15-7-13(19)10(16)5-9(15)14(20)6-8-11(17)3-2-4-12(8)18/h2-5,7H,6H2,1H3
InChIKeyDXWAKZPOXFZKIY-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.14
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 103394230
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone
CID 103394058
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromophenyl)methanone
CID 103394193
1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one
CID 103394166
2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 106266339
2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
CID 84806885
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanone
CID 103394263
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone
CID 106851427
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone
CID 103394161
1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966188
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one
CID 117303668

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone (CID 103394235) is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone is COc1cc(F)c(Br)cc1C(=O)Cc1c(F)cccc1F.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone?
The InChIKey is DXWAKZPOXFZKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3O2/c1-21-15-7-13(19)10(16)5-9(15)14(20)6-8-11(17)3-2-4-12(8)18/h2-5,7H,6H2,1H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone?
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone has a molecular weight of 359.14 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 103394235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).