[(2R,3R)-2-methylazetidin-3-yl] 2,2,2-trifluoroacetate

C6H8F3NO2 — CID 124893978

IUPAC[(2R,3R)-2-methylazetidin-3-yl] 2,2,2-trifluoroacetate
SMILESC[C@H]1NC[C@H]1OC(=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/t3-,4-/m1/s1
InChIKeyOGYHRLMYLZMLQF-QWWZWVQMSA-N
MW183.13 g/mol
LogP0.45
Rot. Bonds1

About [(2R,3R)-2-methylazetidin-3-yl] 2,2,2-trifluoroacetate

[(2R,3R)-2-methylazetidin-3-yl] 2,2,2-trifluoroacetate (PubChem CID 124893978) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is [(2R,3R)-2-methylazetidin-3-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2R,3R)-2-methylazetidin-3-yl] 2,2,2-trifluoroacetate
PubChem CID124893978
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name[(2R,3R)-2-methylazetidin-3-yl] 2,2,2-trifluoroacetate
SMILESC[C@H]1NC[C@H]1OC(=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/t3-,4-/m1/s1
InChIKeyOGYHRLMYLZMLQF-QWWZWVQMSA-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 [(2R,3R)-2-methylazetidin-3-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [(2R,3R)-2-methylazetidin-3-yl] 2,2,2-trifluoroacetate (CID 124893978) is [(2R,3R)-2-methylazetidin-3-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2R,3R)-2-methylazetidin-3-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(2R,3R)-2-methylazetidin-3-yl] 2,2,2-trifluoroacetate is C[C@H]1NC[C@H]1OC(=O)C(F)(F)F.
What is the InChIKey of [(2R,3R)-2-methylazetidin-3-yl] 2,2,2-trifluoroacetate?
The InChIKey is OGYHRLMYLZMLQF-QWWZWVQMSA-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/t3-,4-/m1/s1.
What are the key properties of [(2R,3R)-2-methylazetidin-3-yl] 2,2,2-trifluoroacetate?
[(2R,3R)-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 [(2R,3R)-2-methylazetidin-3-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 124893978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).