3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one

C15H16BrFO — CID 112743598

IUPAC3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one
SMILESO=C(Cc1cc(Br)ccc1F)C(C1CC1)C1CC1
InChIInChI=1S/C15H16BrFO/c16-12-5-6-13(17)11(7-12)8-14(18)15(9-1-2-9)10-3-4-10/h5-7,9-10,15H,1-4,8H2
InChIKeyLFISBVHRASYHCC-UHFFFAOYSA-N
MW311.19 g/mol
LogP4.14
Rot. Bonds5

About 3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one

3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one (PubChem CID 112743598) has the molecular formula C15H16BrFO and a molecular weight of 311.19 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one
PubChem CID112743598
Molecular FormulaC15H16BrFO
Molecular Weight311.19 g/mol
Exact Mass310.04
IUPAC Name3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one
SMILESO=C(Cc1cc(Br)ccc1F)C(C1CC1)C1CC1
InChIInChI=1S/C15H16BrFO/c16-12-5-6-13(17)11(7-12)8-14(18)15(9-1-2-9)10-3-4-10/h5-7,9-10,15H,1-4,8H2
InChIKeyLFISBVHRASYHCC-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65423697
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2-(5-bromo-2-fluorophenyl)-1-cyclooctylethanone
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1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 116595335
1-[4-(aminomethyl)cyclohexyl]-2-(5-bromo-2-fluorophenyl)ethanone
CID 116592532
1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one
CID 116559176
3-(4-bromo-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
CID 103457440
1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139930
2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547913
2-(5-bromo-2-fluorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 65393093
4-amino-1-(5-bromo-2-fluorophenyl)-3-phenylbutan-2-one
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1-[(5-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65424139

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one (CID 112743598) is 3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one is O=C(Cc1cc(Br)ccc1F)C(C1CC1)C1CC1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one?
The InChIKey is LFISBVHRASYHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFO/c16-12-5-6-13(17)11(7-12)8-14(18)15(9-1-2-9)10-3-4-10/h5-7,9-10,15H,1-4,8H2.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one?
3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one has a molecular weight of 311.19 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one is sourced from PubChem (CID 112743598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).