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

C8H16F2N2O — CID 102657014

IUPAC2,2-difluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
SMILESCC1(OCCNCC(F)F)CNC1
InChIInChI=1S/C8H16F2N2O/c1-8(5-12-6-8)13-3-2-11-4-7(9)10/h7,11-12H,2-6H2,1H3
InChIKeyTZYUJKLHHDNVQE-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.22
Rot. Bonds6

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

2,2-difluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine (PubChem CID 102657014) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
PubChem CID102657014
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name2,2-difluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
SMILESCC1(OCCNCC(F)F)CNC1
InChIInChI=1S/C8H16F2N2O/c1-8(5-12-6-8)13-3-2-11-4-7(9)10/h7,11-12H,2-6H2,1H3
InChIKeyTZYUJKLHHDNVQE-UHFFFAOYSA-N
XLogP0.22
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.22
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 2,2-difluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine (CID 102657014) is 2,2-difluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine is CC1(OCCNCC(F)F)CNC1.
What is the InChIKey of 2,2-difluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The InChIKey is TZYUJKLHHDNVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-8(5-12-6-8)13-3-2-11-4-7(9)10/h7,11-12H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
2,2-difluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine has a molecular weight of 194.22 g/mol, XLogP of 0.22, 6 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-(3-methylazetidin-3-yl)oxyethyl]ethanamine is sourced from PubChem (CID 102657014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).