2-(3-bromo-5-fluoroanilino)ethanol

C8H9BrFNO — CID 68777255

IUPAC2-(3-bromo-5-fluoroanilino)ethanol
SMILESOCCNc1cc(F)cc(Br)c1
InChIInChI=1S/C8H9BrFNO/c9-6-3-7(10)5-8(4-6)11-1-2-12/h3-5,11-12H,1-2H2
InChIKeyRCMFOOGFPDJMSE-UHFFFAOYSA-N
MW234.07 g/mol
LogP1.99
Rot. Bonds3

About 2-(3-bromo-5-fluoroanilino)ethanol

2-(3-bromo-5-fluoroanilino)ethanol (PubChem CID 68777255) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 2-(3-bromo-5-fluoroanilino)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluoroanilino)ethanol
PubChem CID68777255
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name2-(3-bromo-5-fluoroanilino)ethanol
SMILESOCCNc1cc(F)cc(Br)c1
InChIInChI=1S/C8H9BrFNO/c9-6-3-7(10)5-8(4-6)11-1-2-12/h3-5,11-12H,1-2H2
InChIKeyRCMFOOGFPDJMSE-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluoroanilino)ethanol?
The IUPAC name of 2-(3-bromo-5-fluoroanilino)ethanol (CID 68777255) is 2-(3-bromo-5-fluoroanilino)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluoroanilino)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluoroanilino)ethanol is OCCNc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluoroanilino)ethanol?
The InChIKey is RCMFOOGFPDJMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c9-6-3-7(10)5-8(4-6)11-1-2-12/h3-5,11-12H,1-2H2.
What are the key properties of 2-(3-bromo-5-fluoroanilino)ethanol?
2-(3-bromo-5-fluoroanilino)ethanol has a molecular weight of 234.07 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluoroanilino)ethanol is sourced from PubChem (CID 68777255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).