2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol

C11H15F2NO2 — CID 106531859

IUPAC2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNC(CO)c1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NO2/c1-16-3-2-14-11(7-15)8-4-9(12)6-10(13)5-8/h4-6,11,14-15H,2-3,7H2,1H3
InChIKeyZOOUYQHDXUQHPJ-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.23
Rot. Bonds6

About 2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol

2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol (PubChem CID 106531859) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol
PubChem CID106531859
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNC(CO)c1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NO2/c1-16-3-2-14-11(7-15)8-4-9(12)6-10(13)5-8/h4-6,11,14-15H,2-3,7H2,1H3
InChIKeyZOOUYQHDXUQHPJ-UHFFFAOYSA-N
XLogP1.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol?
The IUPAC name of 2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol (CID 106531859) is 2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol is COCCNC(CO)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol?
The InChIKey is ZOOUYQHDXUQHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-16-3-2-14-11(7-15)8-4-9(12)6-10(13)5-8/h4-6,11,14-15H,2-3,7H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol?
2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol has a molecular weight of 231.24 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol is sourced from PubChem (CID 106531859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).