2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone

C13H14BrFO2 — CID 116707049

IUPAC2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
SMILESCOC1(C(=O)Cc2ccc(Br)cc2F)CCC1
InChIInChI=1S/C13H14BrFO2/c1-17-13(5-2-6-13)12(16)7-9-3-4-10(14)8-11(9)15/h3-4,8H,2,5-7H2,1H3
InChIKeySWIOISPAWHSZDV-UHFFFAOYSA-N
MW301.15 g/mol
LogP3.27
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone

2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone (PubChem CID 116707049) has the molecular formula C13H14BrFO2 and a molecular weight of 301.15 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
PubChem CID116707049
Molecular FormulaC13H14BrFO2
Molecular Weight301.15 g/mol
Exact Mass300.02
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
SMILESCOC1(C(=O)Cc2ccc(Br)cc2F)CCC1
InChIInChI=1S/C13H14BrFO2/c1-17-13(5-2-6-13)12(16)7-9-3-4-10(14)8-11(9)15/h3-4,8H,2,5-7H2,1H3
InChIKeySWIOISPAWHSZDV-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone
CID 114968454
1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone
CID 116598573
2-(2,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750334
2-(4-bromo-2-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450671
2-(2-bromo-3-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 116750542
2-(4-bromo-2-fluorophenyl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79064667
1-(1-aminocyclopropyl)-2-(4-bromo-2-fluorophenyl)ethanone
CID 116576707
1-[1-(aminomethyl)cyclopentyl]-2-(4-bromo-2-fluorophenyl)ethanone
CID 116601033
2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749232
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710611
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116706997
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706781

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone (CID 116707049) is 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone is COC1(C(=O)Cc2ccc(Br)cc2F)CCC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone?
The InChIKey is SWIOISPAWHSZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFO2/c1-17-13(5-2-6-13)12(16)7-9-3-4-10(14)8-11(9)15/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone?
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone has a molecular weight of 301.15 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 116707049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).