1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone

C13H14BrFO — CID 114885274

IUPAC1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)c1c(F)cccc1Br
InChIInChI=1S/C13H14BrFO/c14-10-6-3-7-11(15)13(10)12(16)8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2
InChIKeyVKYSBRHVKDNQKA-UHFFFAOYSA-N
MW285.16 g/mol
LogP4.35
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone

1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone (PubChem CID 114885274) has the molecular formula C13H14BrFO and a molecular weight of 285.16 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone
PubChem CID114885274
Molecular FormulaC13H14BrFO
Molecular Weight285.16 g/mol
Exact Mass284.02
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)c1c(F)cccc1Br
InChIInChI=1S/C13H14BrFO/c14-10-6-3-7-11(15)13(10)12(16)8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2
InChIKeyVKYSBRHVKDNQKA-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359
(2-bromo-6-fluorophenyl)-cyclopentylmethanone
CID 114885328
1-(4-bromo-2,6-difluorophenyl)-2-cyclopentylethanone
CID 114969301
2-amino-1-(2-bromo-6-fluorophenyl)ethanone
CID 84695252
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid
CID 115909676
2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 115794245
1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone
CID 116597683
2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106361705
2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanone
CID 43338505
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885338
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-2-yl]acetic acid
CID 114558491
2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide
CID 114559684

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone (CID 114885274) is 1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone is O=C(CC1CCCC1)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone?
The InChIKey is VKYSBRHVKDNQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFO/c14-10-6-3-7-11(15)13(10)12(16)8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone?
1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone has a molecular weight of 285.16 g/mol, XLogP of 4.35, 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-fluorophenyl)-2-cyclopentylethanone is sourced from PubChem (CID 114885274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).