2-(2,2-difluoro-2-phenylethoxy)ethanamine

C10H13F2NO — CID 116789855

IUPAC2-(2,2-difluoro-2-phenylethoxy)ethanamine
SMILESNCCOCC(F)(F)c1ccccc1
InChIInChI=1S/C10H13F2NO/c11-10(12,8-14-7-6-13)9-4-2-1-3-5-9/h1-5H,6-8,13H2
InChIKeyOYQNSSGSNVIDRK-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.75
Rot. Bonds5

About 2-(2,2-difluoro-2-phenylethoxy)ethanamine

2-(2,2-difluoro-2-phenylethoxy)ethanamine (PubChem CID 116789855) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(2,2-difluoro-2-phenylethoxy)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoro-2-phenylethoxy)ethanamine
PubChem CID116789855
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(2,2-difluoro-2-phenylethoxy)ethanamine
SMILESNCCOCC(F)(F)c1ccccc1
InChIInChI=1S/C10H13F2NO/c11-10(12,8-14-7-6-13)9-4-2-1-3-5-9/h1-5H,6-8,13H2
InChIKeyOYQNSSGSNVIDRK-UHFFFAOYSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,2-difluoro-2-phenylethoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-2-phenylethoxy)ethanamine?
The IUPAC name of 2-(2,2-difluoro-2-phenylethoxy)ethanamine (CID 116789855) is 2-(2,2-difluoro-2-phenylethoxy)ethanamine.
What is the SMILES notation for 2-(2,2-difluoro-2-phenylethoxy)ethanamine?
The canonical SMILES for 2-(2,2-difluoro-2-phenylethoxy)ethanamine is NCCOCC(F)(F)c1ccccc1.
What is the InChIKey of 2-(2,2-difluoro-2-phenylethoxy)ethanamine?
The InChIKey is OYQNSSGSNVIDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-10(12,8-14-7-6-13)9-4-2-1-3-5-9/h1-5H,6-8,13H2.
What are the key properties of 2-(2,2-difluoro-2-phenylethoxy)ethanamine?
2-(2,2-difluoro-2-phenylethoxy)ethanamine has a molecular weight of 201.22 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-2-phenylethoxy)ethanamine is sourced from PubChem (CID 116789855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).