2-(5-bromo-6-fluoroindol-1-yl)ethanol

C10H9BrFNO — CID 68659485

IUPAC2-(5-bromo-6-fluoroindol-1-yl)ethanol
SMILESOCCn1ccc2cc(Br)c(F)cc21
InChIInChI=1S/C10H9BrFNO/c11-8-5-7-1-2-13(3-4-14)10(7)6-9(8)12/h1-2,5-6,14H,3-4H2
InChIKeyPQDUOSGMBPTOGY-UHFFFAOYSA-N
MW258.09 g/mol
LogP2.54
Rot. Bonds2

About 2-(5-bromo-6-fluoroindol-1-yl)ethanol

2-(5-bromo-6-fluoroindol-1-yl)ethanol (PubChem CID 68659485) has the molecular formula C10H9BrFNO and a molecular weight of 258.09 g/mol. Its IUPAC name is 2-(5-bromo-6-fluoroindol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-6-fluoroindol-1-yl)ethanol
PubChem CID68659485
Molecular FormulaC10H9BrFNO
Molecular Weight258.09 g/mol
Exact Mass256.99
IUPAC Name2-(5-bromo-6-fluoroindol-1-yl)ethanol
SMILESOCCn1ccc2cc(Br)c(F)cc21
InChIInChI=1S/C10H9BrFNO/c11-8-5-7-1-2-13(3-4-14)10(7)6-9(8)12/h1-2,5-6,14H,3-4H2
InChIKeyPQDUOSGMBPTOGY-UHFFFAOYSA-N
XLogP2.54
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-fluoroindol-1-yl)ethanol?
The IUPAC name of 2-(5-bromo-6-fluoroindol-1-yl)ethanol (CID 68659485) is 2-(5-bromo-6-fluoroindol-1-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-6-fluoroindol-1-yl)ethanol?
The canonical SMILES for 2-(5-bromo-6-fluoroindol-1-yl)ethanol is OCCn1ccc2cc(Br)c(F)cc21.
What is the InChIKey of 2-(5-bromo-6-fluoroindol-1-yl)ethanol?
The InChIKey is PQDUOSGMBPTOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO/c11-8-5-7-1-2-13(3-4-14)10(7)6-9(8)12/h1-2,5-6,14H,3-4H2.
What are the key properties of 2-(5-bromo-6-fluoroindol-1-yl)ethanol?
2-(5-bromo-6-fluoroindol-1-yl)ethanol has a molecular weight of 258.09 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-fluoroindol-1-yl)ethanol is sourced from PubChem (CID 68659485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).