2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone

C13H14BrFO2 — CID 103447608

IUPAC2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
SMILESO=C(Cc1ccc(F)c(Br)c1)C1(O)CCCC1
InChIInChI=1S/C13H14BrFO2/c14-10-7-9(3-4-11(10)15)8-12(16)13(17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8H2
InChIKeyWKTMKZTXPOPBCT-UHFFFAOYSA-N
MW301.15 g/mol
LogP3.00
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone

2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone (PubChem CID 103447608) has the molecular formula C13H14BrFO2 and a molecular weight of 301.15 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
PubChem CID103447608
Molecular FormulaC13H14BrFO2
Molecular Weight301.15 g/mol
Exact Mass300.02
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
SMILESO=C(Cc1ccc(F)c(Br)c1)C1(O)CCCC1
InChIInChI=1S/C13H14BrFO2/c14-10-7-9(3-4-11(10)15)8-12(16)13(17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8H2
InChIKeyWKTMKZTXPOPBCT-UHFFFAOYSA-N
XLogP3.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79063369
2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 114012649
2-(3-bromo-4-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750208
2-(3-bromo-2,6-difluorophenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 106266312
2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568586
2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447700
1-[[[2-(3-bromo-4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543696
2-(2-bromo-3-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447641
1-[2-(3-bromo-4-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103451976
2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449739
1-(3-bromo-4-fluorophenyl)but-3-en-2-one
CID 103453521
2-(3-bromo-4-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 63411740

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone (CID 103447608) is 2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone is O=C(Cc1ccc(F)c(Br)c1)C1(O)CCCC1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone?
The InChIKey is WKTMKZTXPOPBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFO2/c14-10-7-9(3-4-11(10)15)8-12(16)13(17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone?
2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone has a molecular weight of 301.15 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone is sourced from PubChem (CID 103447608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).