2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone

C8H3BrF4O — CID 130136879

IUPAC2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone
SMILESO=C(c1cc(F)ccc1F)C(F)(F)Br
InChIInChI=1S/C8H3BrF4O/c9-8(12,13)7(14)5-3-4(10)1-2-6(5)11/h1-3H
InChIKeyCCHAATKNRPSLKW-UHFFFAOYSA-N
MW271.01 g/mol
LogP3.14
Rot. Bonds2

About 2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone

2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone (PubChem CID 130136879) has the molecular formula C8H3BrF4O and a molecular weight of 271.01 g/mol. Its IUPAC name is 2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone.

Molecular Properties

Compound Name2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone
PubChem CID130136879
Molecular FormulaC8H3BrF4O
Molecular Weight271.01 g/mol
Exact Mass269.93
IUPAC Name2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone
SMILESO=C(c1cc(F)ccc1F)C(F)(F)Br
InChIInChI=1S/C8H3BrF4O/c9-8(12,13)7(14)5-3-4(10)1-2-6(5)11/h1-3H
InChIKeyCCHAATKNRPSLKW-UHFFFAOYSA-N
XLogP3.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.01
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2,2-difluoro-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 131390571
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
1-(2,5-difluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456132
1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one
CID 126982063
2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone
CID 130137043
2,4-difluorobenzoic acid;2,5-difluorobenzoic acid
CID 161054103
(2-bromophenyl)-(2,5-difluorophenyl)methanone
CID 43159861
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335
2-bromo-1-[4-[(2,5-difluorophenoxy)methyl]phenyl]-2,2-difluoroethanone
CID 146006185
(E)-1-(2,5-difluorophenyl)-2-methyl-3-phenylprop-2-en-1-one
CID 59347721
(2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752464

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone?
The IUPAC name of 2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone (CID 130136879) is 2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone.
What is the SMILES notation for 2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone?
The canonical SMILES for 2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone is O=C(c1cc(F)ccc1F)C(F)(F)Br.
What is the InChIKey of 2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone?
The InChIKey is CCHAATKNRPSLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF4O/c9-8(12,13)7(14)5-3-4(10)1-2-6(5)11/h1-3H.
What are the key properties of 2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone?
2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone has a molecular weight of 271.01 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone is sourced from PubChem (CID 130136879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).