1-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one

C12H14BrFO — CID 167085675

IUPAC1-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one
SMILESCCc1cc(F)cc(Br)c1C(=O)C(C)C
InChIInChI=1S/C12H14BrFO/c1-4-8-5-9(14)6-10(13)11(8)12(15)7(2)3/h5-7H,4H2,1-3H3
InChIKeyHPFYEFXYKUMQSO-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.99
Rot. Bonds3

About 1-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one

1-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one (PubChem CID 167085675) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is 1-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one
PubChem CID167085675
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name1-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one
SMILESCCc1cc(F)cc(Br)c1C(=O)C(C)C
InChIInChI=1S/C12H14BrFO/c1-4-8-5-9(14)6-10(13)11(8)12(15)7(2)3/h5-7H,4H2,1-3H3
InChIKeyHPFYEFXYKUMQSO-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 118830275
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CID 117375107
3-[(2-bromo-4-fluorophenyl)methyl-ethylamino]-2-methylpropanoic acid
CID 55122575
1-[2-bromo-6-(difluoromethyl)-4-fluorophenyl]ethanone
CID 131295838
1-(2-bromo-4-fluoro-6-methylphenyl)ethanone
CID 53402494
2-(3-bromo-5-fluoro-2-iodophenyl)acetic acid
CID 131621164
1-(2-bromo-4-fluorophenyl)-3-ethoxybutan-2-one
CID 64540053
1-[4-(3-ethylphenyl)-2,6-difluorophenyl]-2-methylpropan-1-one
CID 176576555
2-bromo-1-(2-bromo-4,6-difluorophenyl)-4-methylpentan-3-one
CID 62395712
2-ethyl-1,4-difluorobenzene
CID 23202513
2-[(2-bromo-4-fluorophenyl)methyl-propan-2-ylamino]acetic acid
CID 60838444

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one (CID 167085675) is 1-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one is CCc1cc(F)cc(Br)c1C(=O)C(C)C.
What is the InChIKey of 1-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is HPFYEFXYKUMQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c1-4-8-5-9(14)6-10(13)11(8)12(15)7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 1-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one?
1-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 273.14 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 167085675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).