1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone

C13H14BrFO — CID 117046363

IUPAC1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone
SMILESCC(=O)C1(c2ccc(Br)c(F)c2)CCCC1
InChIInChI=1S/C13H14BrFO/c1-9(16)13(6-2-3-7-13)10-4-5-11(14)12(15)8-10/h4-5,8H,2-3,6-7H2,1H3
InChIKeyAFBVDZOWVJWKDZ-UHFFFAOYSA-N
MW285.16 g/mol
LogP3.99
Rot. Bonds2

About 1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone

1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone (PubChem CID 117046363) has the molecular formula C13H14BrFO and a molecular weight of 285.16 g/mol. Its IUPAC name is 1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone
PubChem CID117046363
Molecular FormulaC13H14BrFO
Molecular Weight285.16 g/mol
Exact Mass284.02
IUPAC Name1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone
SMILESCC(=O)C1(c2ccc(Br)c(F)c2)CCCC1
InChIInChI=1S/C13H14BrFO/c1-9(16)13(6-2-3-7-13)10-4-5-11(14)12(15)8-10/h4-5,8H,2-3,6-7H2,1H3
InChIKeyAFBVDZOWVJWKDZ-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 1-(4-bromo-3-fluorophenyl)cyclobutane-1-carboxylate
CID 116989068
1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone
CID 117046703
methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate
CID 90298966
1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
CID 82297467
1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone
CID 82283649
1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid
CID 11501240
methyl 1-(3,4-difluorophenyl)cyclobutane-1-carboxylate
CID 116963872
1-[1-(2,3-dihydro-1H-inden-5-yl)cyclopropyl]ethanone
CID 83686495
1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone
CID 117046742
1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
CID 82617664
[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
CID 117432913
1-[1-(4-ethylphenyl)cyclopentyl]ethanone
CID 82284998

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone?
The IUPAC name of 1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone (CID 117046363) is 1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone.
What is the SMILES notation for 1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone?
The canonical SMILES for 1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone is CC(=O)C1(c2ccc(Br)c(F)c2)CCCC1.
What is the InChIKey of 1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone?
The InChIKey is AFBVDZOWVJWKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFO/c1-9(16)13(6-2-3-7-13)10-4-5-11(14)12(15)8-10/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone?
1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone has a molecular weight of 285.16 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone is sourced from PubChem (CID 117046363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).