2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine

C9H18F2N2O — CID 156700819

IUPAC2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine
SMILESCC1(CCNCC(F)F)CNCCO1
InChIInChI=1S/C9H18F2N2O/c1-9(7-13-4-5-14-9)2-3-12-6-8(10)11/h8,12-13H,2-7H2,1H3
InChIKeyZDYKKBGRCYMJAU-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.61
Rot. Bonds5

About 2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine

2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine (PubChem CID 156700819) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine
PubChem CID156700819
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine
SMILESCC1(CCNCC(F)F)CNCCO1
InChIInChI=1S/C9H18F2N2O/c1-9(7-13-4-5-14-9)2-3-12-6-8(10)11/h8,12-13H,2-7H2,1H3
InChIKeyZDYKKBGRCYMJAU-UHFFFAOYSA-N
XLogP0.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]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-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine (CID 156700819) is 2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine is CC1(CCNCC(F)F)CNCCO1.
What is the InChIKey of 2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine?
The InChIKey is ZDYKKBGRCYMJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-9(7-13-4-5-14-9)2-3-12-6-8(10)11/h8,12-13H,2-7H2,1H3.
What are the key properties of 2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine?
2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine has a molecular weight of 208.25 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine is sourced from PubChem (CID 156700819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).