[(2S,3S)-3-methoxy-2,3-dimethylazetidin-1-yl] 2,2,2-trifluoroacetate

C8H12F3NO3 — CID 178127899

IUPAC[(2S,3S)-3-methoxy-2,3-dimethylazetidin-1-yl] 2,2,2-trifluoroacetate
SMILESCO[C@@]1(C)CN(OC(=O)C(F)(F)F)[C@H]1C
InChIInChI=1S/C8H12F3NO3/c1-5-7(2,14-3)4-12(5)15-6(13)8(9,10)11/h5H,4H2,1-3H3/t5-,7-/m0/s1
InChIKeyAZBDRJQDBUEILY-FSPLSTOPSA-N
MW227.18 g/mol
LogP1.12
Rot. Bonds2

About [(2S,3S)-3-methoxy-2,3-dimethylazetidin-1-yl] 2,2,2-trifluoroacetate

[(2S,3S)-3-methoxy-2,3-dimethylazetidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 178127899) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is [(2S,3S)-3-methoxy-2,3-dimethylazetidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2S,3S)-3-methoxy-2,3-dimethylazetidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID178127899
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name[(2S,3S)-3-methoxy-2,3-dimethylazetidin-1-yl] 2,2,2-trifluoroacetate
SMILESCO[C@@]1(C)CN(OC(=O)C(F)(F)F)[C@H]1C
InChIInChI=1S/C8H12F3NO3/c1-5-7(2,14-3)4-12(5)15-6(13)8(9,10)11/h5H,4H2,1-3H3/t5-,7-/m0/s1
InChIKeyAZBDRJQDBUEILY-FSPLSTOPSA-N
XLogP1.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-methoxy-2,3-dimethylazetidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [(2S,3S)-3-methoxy-2,3-dimethylazetidin-1-yl] 2,2,2-trifluoroacetate (CID 178127899) is [(2S,3S)-3-methoxy-2,3-dimethylazetidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2S,3S)-3-methoxy-2,3-dimethylazetidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(2S,3S)-3-methoxy-2,3-dimethylazetidin-1-yl] 2,2,2-trifluoroacetate is CO[C@@]1(C)CN(OC(=O)C(F)(F)F)[C@H]1C.
What is the InChIKey of [(2S,3S)-3-methoxy-2,3-dimethylazetidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is AZBDRJQDBUEILY-FSPLSTOPSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-5-7(2,14-3)4-12(5)15-6(13)8(9,10)11/h5H,4H2,1-3H3/t5-,7-/m0/s1.
What are the key properties of [(2S,3S)-3-methoxy-2,3-dimethylazetidin-1-yl] 2,2,2-trifluoroacetate?
[(2S,3S)-3-methoxy-2,3-dimethylazetidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 227.18 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-methoxy-2,3-dimethylazetidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 178127899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).