2-(2-bromo-5-fluorophenyl)-1-(cyclopenten-1-yl)ethanone

C13H12BrFO — CID 103448174

IUPAC2-(2-bromo-5-fluorophenyl)-1-(cyclopenten-1-yl)ethanone
SMILESO=C(Cc1cc(F)ccc1Br)C1=CCCC1
InChIInChI=1S/C13H12BrFO/c14-12-6-5-11(15)7-10(12)8-13(16)9-3-1-2-4-9/h3,5-7H,1-2,4,8H2
InChIKeyUNKIHJIWFIITTQ-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.81
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-1-(cyclopenten-1-yl)ethanone

2-(2-bromo-5-fluorophenyl)-1-(cyclopenten-1-yl)ethanone (PubChem CID 103448174) has the molecular formula C13H12BrFO and a molecular weight of 283.14 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(cyclopenten-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(cyclopenten-1-yl)ethanone
PubChem CID103448174
Molecular FormulaC13H12BrFO
Molecular Weight283.14 g/mol
Exact Mass282.01
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(cyclopenten-1-yl)ethanone
SMILESO=C(Cc1cc(F)ccc1Br)C1=CCCC1
InChIInChI=1S/C13H12BrFO/c14-12-6-5-11(15)7-10(12)8-13(16)9-3-1-2-4-9/h3,5-7H,1-2,4,8H2
InChIKeyUNKIHJIWFIITTQ-UHFFFAOYSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 103449970
2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone
CID 103449893
2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone
CID 103450420
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968179
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114329547
1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one
CID 118843600
2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105090063
2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840218
2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone
CID 105090104
2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 114968207
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone
CID 103447987

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(cyclopenten-1-yl)ethanone?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(cyclopenten-1-yl)ethanone (CID 103448174) is 2-(2-bromo-5-fluorophenyl)-1-(cyclopenten-1-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(cyclopenten-1-yl)ethanone?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(cyclopenten-1-yl)ethanone is O=C(Cc1cc(F)ccc1Br)C1=CCCC1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(cyclopenten-1-yl)ethanone?
The InChIKey is UNKIHJIWFIITTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFO/c14-12-6-5-11(15)7-10(12)8-13(16)9-3-1-2-4-9/h3,5-7H,1-2,4,8H2.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(cyclopenten-1-yl)ethanone?
2-(2-bromo-5-fluorophenyl)-1-(cyclopenten-1-yl)ethanone has a molecular weight of 283.14 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(cyclopenten-1-yl)ethanone is sourced from PubChem (CID 103448174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).