(1R)-1-(3-bromo-5-fluorophenyl)ethanol

C8H8BrFO — CID 79036939

IUPAC(1R)-1-(3-bromo-5-fluorophenyl)ethanol
SMILESC[C@@H](O)c1cc(F)cc(Br)c1
InChIInChI=1S/C8H8BrFO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5,11H,1H3/t5-/m1/s1
InChIKeyRMICUVVTYFJRJY-RXMQYKEDSA-N
MW219.05 g/mol
LogP2.64
Rot. Bonds1

About (1R)-1-(3-bromo-5-fluorophenyl)ethanol

(1R)-1-(3-bromo-5-fluorophenyl)ethanol (PubChem CID 79036939) has the molecular formula C8H8BrFO and a molecular weight of 219.05 g/mol. Its IUPAC name is (1R)-1-(3-bromo-5-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-bromo-5-fluorophenyl)ethanol
PubChem CID79036939
Molecular FormulaC8H8BrFO
Molecular Weight219.05 g/mol
Exact Mass217.97
IUPAC Name(1R)-1-(3-bromo-5-fluorophenyl)ethanol
SMILESC[C@@H](O)c1cc(F)cc(Br)c1
InChIInChI=1S/C8H8BrFO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5,11H,1H3/t5-/m1/s1
InChIKeyRMICUVVTYFJRJY-RXMQYKEDSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.05
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-5-fluorophenyl)ethanol?
The IUPAC name of (1R)-1-(3-bromo-5-fluorophenyl)ethanol (CID 79036939) is (1R)-1-(3-bromo-5-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-1-(3-bromo-5-fluorophenyl)ethanol?
The canonical SMILES for (1R)-1-(3-bromo-5-fluorophenyl)ethanol is C[C@@H](O)c1cc(F)cc(Br)c1.
What is the InChIKey of (1R)-1-(3-bromo-5-fluorophenyl)ethanol?
The InChIKey is RMICUVVTYFJRJY-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8BrFO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5,11H,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-5-fluorophenyl)ethanol?
(1R)-1-(3-bromo-5-fluorophenyl)ethanol has a molecular weight of 219.05 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-5-fluorophenyl)ethanol is sourced from PubChem (CID 79036939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).