1-(2-bromo-6-fluorophenyl)ethanol;ethane

C10H14BrFO — CID 166081961

IUPAC1-(2-bromo-6-fluorophenyl)ethanol;ethane
SMILESCC.CC(O)c1c(F)cccc1Br
InChIInChI=1S/C8H8BrFO.C2H6/c1-5(11)8-6(9)3-2-4-7(8)10;1-2/h2-5,11H,1H3;1-2H3
InChIKeyIMSYLJHAJIPDQA-UHFFFAOYSA-N
MW249.12 g/mol
LogP3.67
Rot. Bonds1

About 1-(2-bromo-6-fluorophenyl)ethanol;ethane

1-(2-bromo-6-fluorophenyl)ethanol;ethane (PubChem CID 166081961) has the molecular formula C10H14BrFO and a molecular weight of 249.12 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)ethanol;ethane.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)ethanol;ethane
PubChem CID166081961
Molecular FormulaC10H14BrFO
Molecular Weight249.12 g/mol
Exact Mass248.02
IUPAC Name1-(2-bromo-6-fluorophenyl)ethanol;ethane
SMILESCC.CC(O)c1c(F)cccc1Br
InChIInChI=1S/C8H8BrFO.C2H6/c1-5(11)8-6(9)3-2-4-7(8)10;1-2/h2-5,11H,1H3;1-2H3
InChIKeyIMSYLJHAJIPDQA-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.12
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)ethanol
CID 5012075
1-(2,6-dibromophenyl)ethanol
CID 117104086
(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
CID 130636781
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
1-(2-bromo-6-fluorophenyl)-2,2-difluoroethanol
CID 130062648
(1R,2S)-1-amino-1-(2-bromo-6-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171261980
2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol
CID 130921663
1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol
CID 107893072
1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol
CID 114885627
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol
CID 114885640
1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 114885662

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)ethanol;ethane?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)ethanol;ethane (CID 166081961) is 1-(2-bromo-6-fluorophenyl)ethanol;ethane.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)ethanol;ethane?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)ethanol;ethane is CC.CC(O)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)ethanol;ethane?
The InChIKey is IMSYLJHAJIPDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO.C2H6/c1-5(11)8-6(9)3-2-4-7(8)10;1-2/h2-5,11H,1H3;1-2H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)ethanol;ethane?
1-(2-bromo-6-fluorophenyl)ethanol;ethane has a molecular weight of 249.12 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)ethanol;ethane is sourced from PubChem (CID 166081961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).