2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone

C14H7Br2F3O — CID 106267622

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)c1cccc(Br)c1F
InChIInChI=1S/C14H7Br2F3O/c15-9-3-1-2-7(13(9)18)12(20)6-8-11(17)5-4-10(16)14(8)19/h1-5H,6H2
InChIKeySTRHUZANADAFRZ-UHFFFAOYSA-N
MW408.01 g/mol
LogP5.05
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone

2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone (PubChem CID 106267622) has the molecular formula C14H7Br2F3O and a molecular weight of 408.01 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
PubChem CID106267622
Molecular FormulaC14H7Br2F3O
Molecular Weight408.01 g/mol
Exact Mass405.88
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)c1cccc(Br)c1F
InChIInChI=1S/C14H7Br2F3O/c15-9-3-1-2-7(13(9)18)12(20)6-8-11(17)5-4-10(16)14(8)19/h1-5H,6H2
InChIKeySTRHUZANADAFRZ-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.01
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 106267787
2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone
CID 106267406
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 106644761
2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 106266059
1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272753
3-amino-1-(3-bromo-2-fluorophenyl)propan-1-one
CID 106647099
2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 106266017
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone
CID 106265929
2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone
CID 106267777
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106266355
2-(3-bromo-2,6-difluorophenyl)acetamide
CID 131036088
2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone
CID 114166217

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone (CID 106267622) is 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone is O=C(Cc1c(F)ccc(Br)c1F)c1cccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone?
The InChIKey is STRHUZANADAFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2F3O/c15-9-3-1-2-7(13(9)18)12(20)6-8-11(17)5-4-10(16)14(8)19/h1-5H,6H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone?
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone has a molecular weight of 408.01 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone is sourced from PubChem (CID 106267622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).