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

C12H14BrFO — CID 82809898

IUPAC1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol
SMILESOC(CC1CCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H14BrFO/c13-10-7-9(4-5-11(10)14)12(15)6-8-2-1-3-8/h4-5,7-8,12,15H,1-3,6H2
InChIKeySNIWLSWODBRDGY-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.81
Rot. Bonds3

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

1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol (PubChem CID 82809898) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol
PubChem CID82809898
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol
SMILESOC(CC1CCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H14BrFO/c13-10-7-9(4-5-11(10)14)12(15)6-8-2-1-3-8/h4-5,7-8,12,15H,1-3,6H2
InChIKeySNIWLSWODBRDGY-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene
CID 79742311
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanol
CID 55095037
1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
CID 114457720
1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol
CID 103165469
1-(3-bromo-4-fluorophenyl)ethane-1,2-diol
CID 70906663
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872
1-(4-bromo-3-methylphenyl)-2-cyclohexylethanol
CID 81447995
(R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine
CID 130054470
(3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol
CID 79747124
[1-(4-bromo-3-fluorophenyl)-2-cyclobutylethyl]hydrazine
CID 105310116
1-(4-aminophenyl)-2-cyclobutylethanol
CID 106695629
2-cyclopentyl-1-[4-(difluoromethyl)phenyl]ethanol
CID 115525070

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol (CID 82809898) is 1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol is OC(CC1CCC1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol?
The InChIKey is SNIWLSWODBRDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c13-10-7-9(4-5-11(10)14)12(15)6-8-2-1-3-8/h4-5,7-8,12,15H,1-3,6H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol?
1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol has a molecular weight of 273.14 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol is sourced from PubChem (CID 82809898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).