[(2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate

C8H9F6NO3 — CID 178126656

IUPAC[(2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate
SMILESC[C@H]1[C@H](OCC(F)(F)F)CN1OC(=O)C(F)(F)F
InChIInChI=1S/C8H9F6NO3/c1-4-5(17-3-7(9,10)11)2-15(4)18-6(16)8(12,13)14/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyUYVKAYRHATXJGJ-CRCLSJGQSA-N
MW281.15 g/mol
LogP1.66
Rot. Bonds3

About [(2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate

[(2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 178126656) has the molecular formula C8H9F6NO3 and a molecular weight of 281.15 g/mol. Its IUPAC name is [(2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID178126656
Molecular FormulaC8H9F6NO3
Molecular Weight281.15 g/mol
Exact Mass281.05
IUPAC Name[(2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate
SMILESC[C@H]1[C@H](OCC(F)(F)F)CN1OC(=O)C(F)(F)F
InChIInChI=1S/C8H9F6NO3/c1-4-5(17-3-7(9,10)11)2-15(4)18-6(16)8(12,13)14/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyUYVKAYRHATXJGJ-CRCLSJGQSA-N
XLogP1.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

(3-Methoxyazetidin-1-yl) 2,2,2-trifluoroacetate
CID 57470867
[(2S)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate
CID 68948696
[(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate
CID 68949600
[2-(Methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate
CID 77577890
(3-Propan-2-yloxyazetidin-1-yl) 2,2,2-trifluoroacetate
CID 146273064
[3-(1,1,1-Trifluoropropan-2-yloxy)azetidin-1-yl] 2,2,2-trifluoroacetate
CID 146273158
[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl] 2,2,2-trifluoroacetate
CID 178127441
[(2S,3S)-3-methoxy-2,3-dimethylazetidin-1-yl] 2,2,2-trifluoroacetate
CID 178127899
[(2S,3S)-3-ethoxy-2-methylazetidin-1-yl] 2,2,2-trifluoroacetate
CID 178127909
[3-(Trifluoromethoxy)azetidin-1-yl] acetate
CID 154023604
[3-(Trideuteriomethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate
CID 168142516

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [(2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate (CID 178126656) is [(2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate is C[C@H]1[C@H](OCC(F)(F)F)CN1OC(=O)C(F)(F)F.
What is the InChIKey of [(2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is UYVKAYRHATXJGJ-CRCLSJGQSA-N. The full InChI is InChI=1S/C8H9F6NO3/c1-4-5(17-3-7(9,10)11)2-15(4)18-6(16)8(12,13)14/h4-5H,2-3H2,1H3/t4-,5+/m0/s1.
What are the key properties of [(2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate?
[(2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 281.15 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 178126656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).