1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone

C14H7BrF4O — CID 107538119

IUPAC1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)c1ccc(F)c(F)c1Br
InChIInChI=1S/C14H7BrF4O/c15-13-9(3-4-10(17)14(13)19)12(20)5-7-1-2-8(16)6-11(7)18/h1-4,6H,5H2
InChIKeyAALIHTKEBKAJAM-UHFFFAOYSA-N
MW347.11 g/mol
LogP4.43
Rot. Bonds3

About 1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone

1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone (PubChem CID 107538119) has the molecular formula C14H7BrF4O and a molecular weight of 347.11 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone
PubChem CID107538119
Molecular FormulaC14H7BrF4O
Molecular Weight347.11 g/mol
Exact Mass345.96
IUPAC Name1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)c1ccc(F)c(F)c1Br
InChIInChI=1S/C14H7BrF4O/c15-13-9(3-4-10(17)14(13)19)12(20)5-7-1-2-8(16)6-11(7)18/h1-4,6H,5H2
InChIKeyAALIHTKEBKAJAM-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.11
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 107538110
1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 107537915
2-(4-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274189
2-(4-bromo-2-fluorophenyl)-1-(2-chloro-4-fluorophenyl)ethanone
CID 63410449
2-bromo-3,4-difluorobenzoic acid
CID 22621204
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 106266059
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529
1-(2-bromo-3,4-difluorophenyl)-3-methylbutan-1-one
CID 107537908
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 63081571
1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 114559875

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone (CID 107538119) is 1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone is O=C(Cc1ccc(F)cc1F)c1ccc(F)c(F)c1Br.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone?
The InChIKey is AALIHTKEBKAJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF4O/c15-13-9(3-4-10(17)14(13)19)12(20)5-7-1-2-8(16)6-11(7)18/h1-4,6H,5H2.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone?
1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone has a molecular weight of 347.11 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 107538119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).