1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one

C14H16BrFO — CID 115784576

IUPAC1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H16BrFO/c15-11-6-7-13(16)12(9-11)14(17)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2
InChIKeyPZJAONQDJXSTLL-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.74
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one

1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one (PubChem CID 115784576) has the molecular formula C14H16BrFO and a molecular weight of 299.18 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one
PubChem CID115784576
Molecular FormulaC14H16BrFO
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H16BrFO/c15-11-6-7-13(16)12(9-11)14(17)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2
InChIKeyPZJAONQDJXSTLL-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 43608246
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1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 82050209
(5-bromo-2-fluorophenyl)-cyclohexylmethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one (CID 115784576) is 1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one is O=C(CCC1CCCC1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one?
The InChIKey is PZJAONQDJXSTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFO/c15-11-6-7-13(16)12(9-11)14(17)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one?
1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one has a molecular weight of 299.18 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one is sourced from PubChem (CID 115784576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).