(2-methylazetidin-3-yl) 2,2,2-trifluoroacetate

C6H8F3NO2 — CID 91825992

IUPAC(2-methylazetidin-3-yl) 2,2,2-trifluoroacetate
SMILESCC1NCC1OC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c1-3-4(2-10-3)12-5(11)6(7,8)9/h3-4,10H,2H2,1H3
InChIKeyOGYHRLMYLZMLQF-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.45
Rot. Bonds1

About (2-methylazetidin-3-yl) 2,2,2-trifluoroacetate

(2-methylazetidin-3-yl) 2,2,2-trifluoroacetate (PubChem CID 91825992) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is (2-methylazetidin-3-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-methylazetidin-3-yl) 2,2,2-trifluoroacetate
PubChem CID91825992
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name(2-methylazetidin-3-yl) 2,2,2-trifluoroacetate
SMILESCC1NCC1OC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c1-3-4(2-10-3)12-5(11)6(7,8)9/h3-4,10H,2H2,1H3
InChIKeyOGYHRLMYLZMLQF-UHFFFAOYSA-N
XLogP0.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylazetidin-3-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (2-methylazetidin-3-yl) 2,2,2-trifluoroacetate (CID 91825992) is (2-methylazetidin-3-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-methylazetidin-3-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2-methylazetidin-3-yl) 2,2,2-trifluoroacetate is CC1NCC1OC(=O)C(F)(F)F.
What is the InChIKey of (2-methylazetidin-3-yl) 2,2,2-trifluoroacetate?
The InChIKey is OGYHRLMYLZMLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c1-3-4(2-10-3)12-5(11)6(7,8)9/h3-4,10H,2H2,1H3.
What are the key properties of (2-methylazetidin-3-yl) 2,2,2-trifluoroacetate?
(2-methylazetidin-3-yl) 2,2,2-trifluoroacetate has a molecular weight of 183.13 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylazetidin-3-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 91825992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).