2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol

C12H14BrFO — CID 64986950

IUPAC2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol
SMILESOC(Cc1ccc(F)c(Br)c1)C1CCC1
InChIInChI=1S/C12H14BrFO/c13-10-6-8(4-5-11(10)14)7-12(15)9-2-1-3-9/h4-6,9,12,15H,1-3,7H2
InChIKeyVMYIMBXVEZQKNM-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.29
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol

2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol (PubChem CID 64986950) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol
PubChem CID64986950
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol
SMILESOC(Cc1ccc(F)c(Br)c1)C1CCC1
InChIInChI=1S/C12H14BrFO/c13-10-6-8(4-5-11(10)14)7-12(15)9-2-1-3-9/h4-6,9,12,15H,1-3,7H2
InChIKeyVMYIMBXVEZQKNM-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65390212
2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol
CID 65395171
2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401565
2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
CID 107883654
2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 64987034
2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol
CID 130608339
[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170422
2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 82920862
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 64986319
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65399384
2-(3-bromophenyl)-1-cycloheptylethanol
CID 63519836
N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine
CID 115926829

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol (CID 64986950) is 2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol is OC(Cc1ccc(F)c(Br)c1)C1CCC1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol?
The InChIKey is VMYIMBXVEZQKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c13-10-6-8(4-5-11(10)14)7-12(15)9-2-1-3-9/h4-6,9,12,15H,1-3,7H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol?
2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol has a molecular weight of 273.14 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol is sourced from PubChem (CID 64986950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).