2-bromo-1-(2,5-difluorophenyl)pentan-1-one

C11H11BrF2O — CID 82254695

IUPAC2-bromo-1-(2,5-difluorophenyl)pentan-1-one
SMILESCCCC(Br)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H11BrF2O/c1-2-3-9(12)11(15)8-6-7(13)4-5-10(8)14/h4-6,9H,2-3H2,1H3
InChIKeyYUWGTBUCVQFZHA-UHFFFAOYSA-N
MW277.11 g/mol
LogP3.71
Rot. Bonds4

About 2-bromo-1-(2,5-difluorophenyl)pentan-1-one

2-bromo-1-(2,5-difluorophenyl)pentan-1-one (PubChem CID 82254695) has the molecular formula C11H11BrF2O and a molecular weight of 277.11 g/mol. Its IUPAC name is 2-bromo-1-(2,5-difluorophenyl)pentan-1-one.

Molecular Properties

Compound Name2-bromo-1-(2,5-difluorophenyl)pentan-1-one
PubChem CID82254695
Molecular FormulaC11H11BrF2O
Molecular Weight277.11 g/mol
Exact Mass276.00
IUPAC Name2-bromo-1-(2,5-difluorophenyl)pentan-1-one
SMILESCCCC(Br)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H11BrF2O/c1-2-3-9(12)11(15)8-6-7(13)4-5-10(8)14/h4-6,9H,2-3H2,1H3
InChIKeyYUWGTBUCVQFZHA-UHFFFAOYSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 53.71
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

1-(2,5-difluorophenyl)-3-ethyl-2-hydroxypentan-1-one
CID 103458391
1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one
CID 103454045
1-(2,5-difluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456132
propyl 2,5-difluorobenzoate
CID 43416946
1-(2,5-difluorophenyl)-2-ethoxy-3-methylbutan-1-one
CID 116708756
2-(2,5-difluorophenyl)sulfanylpentanoic acid
CID 83037818
2-bromo-1-(2,5-difluorophenyl)hexan-3-one
CID 62395008
2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one
CID 130136876
N-(4-bromobutan-2-yl)-2,5-difluorobenzamide
CID 83180348
2-amino-1-(2,5-difluorophenyl)-4-methylsulfonylbutan-1-one
CID 116551905
1-(2,5-difluorophenyl)dodecan-1-one
CID 65448171
2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one
CID 82048981

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,5-difluorophenyl)pentan-1-one?
The IUPAC name of 2-bromo-1-(2,5-difluorophenyl)pentan-1-one (CID 82254695) is 2-bromo-1-(2,5-difluorophenyl)pentan-1-one.
What is the SMILES notation for 2-bromo-1-(2,5-difluorophenyl)pentan-1-one?
The canonical SMILES for 2-bromo-1-(2,5-difluorophenyl)pentan-1-one is CCCC(Br)C(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-bromo-1-(2,5-difluorophenyl)pentan-1-one?
The InChIKey is YUWGTBUCVQFZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2O/c1-2-3-9(12)11(15)8-6-7(13)4-5-10(8)14/h4-6,9H,2-3H2,1H3.
What are the key properties of 2-bromo-1-(2,5-difluorophenyl)pentan-1-one?
2-bromo-1-(2,5-difluorophenyl)pentan-1-one has a molecular weight of 277.11 g/mol, XLogP of 3.71, 4 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)pentan-1-one is sourced from PubChem (CID 82254695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).