2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone

C8H4Br2F2O — CID 122237338

IUPAC2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone
SMILESO=C(CBr)c1cc(F)cc(F)c1Br
InChIInChI=1S/C8H4Br2F2O/c9-3-7(13)5-1-4(11)2-6(12)8(5)10/h1-2H,3H2
InChIKeyMZDHFSGLDLASEI-UHFFFAOYSA-N
MW313.92 g/mol
LogP3.30
Rot. Bonds2

About 2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone

2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone (PubChem CID 122237338) has the molecular formula C8H4Br2F2O and a molecular weight of 313.92 g/mol. Its IUPAC name is 2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone
PubChem CID122237338
Molecular FormulaC8H4Br2F2O
Molecular Weight313.92 g/mol
Exact Mass311.86
IUPAC Name2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone
SMILESO=C(CBr)c1cc(F)cc(F)c1Br
InChIInChI=1S/C8H4Br2F2O/c9-3-7(13)5-1-4(11)2-6(12)8(5)10/h1-2H,3H2
InChIKeyMZDHFSGLDLASEI-UHFFFAOYSA-N
XLogP3.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.92
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-3,5-difluorophenyl)-2-bromoethanone
CID 171017638
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone
CID 171021726
2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone
CID 122237020
1-(2-amino-3-bromo-4-fluorophenyl)-2-bromoethanone
CID 171016538
2-bromo-1-(2-chloro-4,6-difluorophenyl)ethanone
CID 131094732
2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone
CID 171020270
bis[2-bromo-3-(bromomethyl)-5-fluorophenyl]methanone
CID 139698478
2-bromo-1-(5-fluoro-3-iodo-2-methoxyphenyl)ethanone
CID 171022554
2-bromo-1-(5-fluoro-2-hydroxy-3-nitrophenyl)ethanone
CID 53441697
2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone
CID 21399995
2-bromo-1-(4-chloro-2-fluorophenyl)ethanone
CID 22121443

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone?
The IUPAC name of 2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone (CID 122237338) is 2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone is O=C(CBr)c1cc(F)cc(F)c1Br.
What is the InChIKey of 2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone?
The InChIKey is MZDHFSGLDLASEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F2O/c9-3-7(13)5-1-4(11)2-6(12)8(5)10/h1-2H,3H2.
What are the key properties of 2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone?
2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone has a molecular weight of 313.92 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone is sourced from PubChem (CID 122237338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).