2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one

C12H12Br2ClFO — CID 107616979

IUPAC2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one
SMILESCCCC(=O)C(Br)Cc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H12Br2ClFO/c1-2-3-12(17)10(14)6-8-9(13)4-7(16)5-11(8)15/h4-5,10H,2-3,6H2,1H3
InChIKeyMHKSPJJTUOXHQH-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.92
Rot. Bonds5

About 2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one

2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one (PubChem CID 107616979) has the molecular formula C12H12Br2ClFO and a molecular weight of 386.49 g/mol. Its IUPAC name is 2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one.

Molecular Properties

Compound Name2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one
PubChem CID107616979
Molecular FormulaC12H12Br2ClFO
Molecular Weight386.49 g/mol
Exact Mass383.89
IUPAC Name2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one
SMILESCCCC(=O)C(Br)Cc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H12Br2ClFO/c1-2-3-12(17)10(14)6-8-9(13)4-7(16)5-11(8)15/h4-5,10H,2-3,6H2,1H3
InChIKeyMHKSPJJTUOXHQH-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.92
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-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide
CID 107616981
2-bromo-1-(2,6-dibromo-4-methylphenyl)hexan-3-one
CID 55195228
2-bromo-1-(3,5-difluorophenyl)hexan-3-one
CID 62393901
2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one
CID 62395711
2-(2-bromo-6-chloro-4-fluorophenyl)acetic acid
CID 131624257
2-bromo-1-(2-chloro-6-methylphenyl)hexan-3-one
CID 66248813
2-bromo-1-(4-bromo-3-fluorophenyl)hexan-3-one
CID 65436247
ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate
CID 83197948
2-bromo-1-(3,4-dichlorophenyl)hexan-3-one
CID 62394460
2-bromo-1-(2,5-difluorophenyl)hexan-3-one
CID 62395008
2-bromo-1-(2-bromo-4,6-difluorophenyl)-4-methylpentan-3-one
CID 62395712
2-bromo-1-(4-fluoro-2-iodophenyl)hexan-3-one
CID 79771799

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one?
The IUPAC name of 2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one (CID 107616979) is 2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one.
What is the SMILES notation for 2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one?
The canonical SMILES for 2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one is CCCC(=O)C(Br)Cc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one?
The InChIKey is MHKSPJJTUOXHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2ClFO/c1-2-3-12(17)10(14)6-8-9(13)4-7(16)5-11(8)15/h4-5,10H,2-3,6H2,1H3.
What are the key properties of 2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one?
2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one has a molecular weight of 386.49 g/mol, XLogP of 4.92, 5 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-6-chloro-4-fluorophenyl)hexan-3-one is sourced from PubChem (CID 107616979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).