2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine

C8H15F3N2O — CID 102656785

IUPAC2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
SMILESCC1(OCCNCC(F)(F)F)CNC1
InChIInChI=1S/C8H15F3N2O/c1-7(4-13-5-7)14-3-2-12-6-8(9,10)11/h12-13H,2-6H2,1H3
InChIKeyZZPMHZUVJASEIF-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.52
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine

2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine (PubChem CID 102656785) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
PubChem CID102656785
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
SMILESCC1(OCCNCC(F)(F)F)CNC1
InChIInChI=1S/C8H15F3N2O/c1-7(4-13-5-7)14-3-2-12-6-8(9,10)11/h12-13H,2-6H2,1H3
InChIKeyZZPMHZUVJASEIF-UHFFFAOYSA-N
XLogP0.52
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.52
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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Related Compounds

3-(Difluoromethoxy)-3-methylazetidine
CID 114782806
2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 62599025
3-Methoxy-3-(trifluoromethyl)azetidine
CID 121203413
3-Ethoxy-3-(trifluoromethyl)azetidine
CID 121203436
3-Propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 132101258
N-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine
CID 138604544
3-(Difluoromethyl)-3-methoxyazetidine
CID 145913730
3-((1,1,1-Trifluoro-2-methylpropan-2-yl)oxy)azetidine hydrochloride
CID 146273102
3-(1,1,1-Trifluoro-2-methylpropan-2-yl)oxyazetidine
CID 146273103
N-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine
CID 163724189
1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine
CID 170104318
2-(2,2-Difluoroethyl)-5-oxa-2,8-diazaspiro[3.5]nonane
CID 177186675

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine (CID 102656785) is 2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine is CC1(OCCNCC(F)(F)F)CNC1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The InChIKey is ZZPMHZUVJASEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-7(4-13-5-7)14-3-2-12-6-8(9,10)11/h12-13H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine has a molecular weight of 212.21 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine is sourced from PubChem (CID 102656785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).