4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine

C10H19F3N2O — CID 102657015

IUPAC4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine
SMILESCC1(OCCNCCCC(F)(F)F)CNC1
InChIInChI=1S/C10H19F3N2O/c1-9(7-15-8-9)16-6-5-14-4-2-3-10(11,12)13/h14-15H,2-8H2,1H3
InChIKeyWTIBUFHBBPYEJG-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.30
Rot. Bonds7

About 4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine

4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine (PubChem CID 102657015) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine
PubChem CID102657015
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine
SMILESCC1(OCCNCCCC(F)(F)F)CNC1
InChIInChI=1S/C10H19F3N2O/c1-9(7-15-8-9)16-6-5-14-4-2-3-10(11,12)13/h14-15H,2-8H2,1H3
InChIKeyWTIBUFHBBPYEJG-UHFFFAOYSA-N
XLogP1.30
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.30
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 4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine (CID 102657015) is 4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine is CC1(OCCNCCCC(F)(F)F)CNC1.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine?
The InChIKey is WTIBUFHBBPYEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(7-15-8-9)16-6-5-14-4-2-3-10(11,12)13/h14-15H,2-8H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine?
4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine has a molecular weight of 240.27 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine is sourced from PubChem (CID 102657015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).