2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol

C12H17F2NO2 — CID 113328532

IUPAC2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol
SMILESCOCCNC(CO)c1ccc(C(F)F)cc1
InChIInChI=1S/C12H17F2NO2/c1-17-7-6-15-11(8-16)9-2-4-10(5-3-9)12(13)14/h2-5,11-12,15-16H,6-8H2,1H3
InChIKeyVGWCZUQWBXZCDF-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.89
Rot. Bonds7

About 2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol

2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol (PubChem CID 113328532) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol
PubChem CID113328532
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol
SMILESCOCCNC(CO)c1ccc(C(F)F)cc1
InChIInChI=1S/C12H17F2NO2/c1-17-7-6-15-11(8-16)9-2-4-10(5-3-9)12(13)14/h2-5,11-12,15-16H,6-8H2,1H3
InChIKeyVGWCZUQWBXZCDF-UHFFFAOYSA-N
XLogP1.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.89
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-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol (CID 113328532) is 2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol is COCCNC(CO)c1ccc(C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol?
The InChIKey is VGWCZUQWBXZCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-17-7-6-15-11(8-16)9-2-4-10(5-3-9)12(13)14/h2-5,11-12,15-16H,6-8H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol?
2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol has a molecular weight of 245.27 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol is sourced from PubChem (CID 113328532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).