2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one

C11H10Br2F2O — CID 62395711

IUPAC2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one
SMILESCCC(=O)C(Br)Cc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H10Br2F2O/c1-2-11(16)9(13)5-7-8(12)3-6(14)4-10(7)15/h3-4,9H,2,5H2,1H3
InChIKeyXFJAJVIPWVRZRY-UHFFFAOYSA-N
MW356.00 g/mol
LogP4.01
Rot. Bonds4

About 2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one

2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one (PubChem CID 62395711) has the molecular formula C11H10Br2F2O and a molecular weight of 356.00 g/mol. Its IUPAC name is 2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one.

Molecular Properties

Compound Name2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one
PubChem CID62395711
Molecular FormulaC11H10Br2F2O
Molecular Weight356.00 g/mol
Exact Mass353.91
IUPAC Name2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one
SMILESCCC(=O)C(Br)Cc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H10Br2F2O/c1-2-11(16)9(13)5-7-8(12)3-6(14)4-10(7)15/h3-4,9H,2,5H2,1H3
InChIKeyXFJAJVIPWVRZRY-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.00
LogP ≤ 54.01
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

ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate
CID 83197948
2-bromo-1-(2-bromo-4,6-difluorophenyl)-4-methylpentan-3-one
CID 62395712
2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one
CID 62395713
2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one
CID 107616979
methyl 2-(2-bromo-4,6-difluorophenyl)acetate
CID 130729909
2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide
CID 62854822
2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide
CID 107616981
2-bromo-1-(4-bromo-3-fluorophenyl)hexan-3-one
CID 65436247
2-bromo-1-(3,5-difluorophenyl)hexan-3-one
CID 62393901
2-bromo-1-(3-bromo-5-methylphenyl)pentan-3-one
CID 107579197
2-bromo-1-(3,5-dichlorophenyl)pentan-3-one
CID 62395360
2-bromo-1-(4-chlorophenyl)pentan-3-one
CID 62396030

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one?
The IUPAC name of 2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one (CID 62395711) is 2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one.
What is the SMILES notation for 2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one?
The canonical SMILES for 2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one is CCC(=O)C(Br)Cc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one?
The InChIKey is XFJAJVIPWVRZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2F2O/c1-2-11(16)9(13)5-7-8(12)3-6(14)4-10(7)15/h3-4,9H,2,5H2,1H3.
What are the key properties of 2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one?
2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one has a molecular weight of 356.00 g/mol, XLogP of 4.01, 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-bromo-4,6-difluorophenyl)pentan-3-one is sourced from PubChem (CID 62395711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).