1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one

C10H9BrF2O — CID 126982063

IUPAC1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C10H9BrF2O/c1-10(2,13)9(14)7-5-6(11)3-4-8(7)12/h3-5H,1-2H3
InChIKeyZJPCVXGWPLCHJZ-UHFFFAOYSA-N
MW263.08 g/mol
LogP3.52
Rot. Bonds2

About 1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one

1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one (PubChem CID 126982063) has the molecular formula C10H9BrF2O and a molecular weight of 263.08 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one
PubChem CID126982063
Molecular FormulaC10H9BrF2O
Molecular Weight263.08 g/mol
Exact Mass261.98
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C10H9BrF2O/c1-10(2,13)9(14)7-5-6(11)3-4-8(7)12/h3-5H,1-2H3
InChIKeyZJPCVXGWPLCHJZ-UHFFFAOYSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-1-(5-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-one
CID 116916389
1-(5-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 79953274
2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)-2-ethylbutan-1-one
CID 116603875
1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one
CID 148880045
(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone
CID 43337748
tert-butyl 2-(5-bromo-2-fluorophenyl)-2-oxoacetate
CID 66825468
2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone
CID 130137043
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone
CID 130136879
(R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide
CID 86715725
5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
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CID 83643848

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one (CID 126982063) is 1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one is CC(C)(F)C(=O)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one?
The InChIKey is ZJPCVXGWPLCHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O/c1-10(2,13)9(14)7-5-6(11)3-4-8(7)12/h3-5H,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one?
1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one has a molecular weight of 263.08 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one is sourced from PubChem (CID 126982063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).