[(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate

C6H8F3NO2 — CID 69064137

IUPAC[(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate
SMILESO=C(OC[C@@H]1CCN1)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(11)12-3-4-1-2-10-4/h4,10H,1-3H2/t4-/m0/s1
InChIKeyYFKWXGKHCZHDPI-BYPYZUCNSA-N
MW183.13 g/mol
LogP0.45
Rot. Bonds2

About [(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate

[(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate (PubChem CID 69064137) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is [(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate
PubChem CID69064137
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name[(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate
SMILESO=C(OC[C@@H]1CCN1)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(11)12-3-4-1-2-10-4/h4,10H,1-3H2/t4-/m0/s1
InChIKeyYFKWXGKHCZHDPI-BYPYZUCNSA-N
XLogP0.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze [(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((Difluoromethoxy)methyl)azetidine
CID 130225832
(S)-2-(Methoxymethyl)azetidine trifluoroacetate
CID 68948694
(R)-2-(methoxymethyl)azetidine trifluoroacetic acid salt
CID 68949596
(s)-2-Hydroxymethylazetidine trifluoroacetate salt
CID 69064135
2-(Methoxymethyl)azetidine trifluoroacetic acid salt
CID 77577889
3-Hydroxy-2-methylazetidine trifluroacetate
CID 91825992
[(2R,3S)-2-methylazetidin-3-yl] 2,2,2-trifluoroacetate
CID 124893975
[(2R,3R)-2-methylazetidin-3-yl] 2,2,2-trifluoroacetate
CID 124893978
(2,2,2-trifluoroacetyl) (2R)-azetidine-2-carboxylate
CID 135241685
(2,2,2-Trifluoroacetyl) azetidine-2-carboxylate
CID 144899915
(2R)-2-(difluoromethoxymethyl)azetidine
CID 176862244
2-(2,2-Difluoroethoxymethyl)azetidine
CID 84649484

Frequently Asked Questions

What is the IUPAC name of [(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate?
The IUPAC name of [(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate (CID 69064137) is [(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate?
The canonical SMILES for [(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate is O=C(OC[C@@H]1CCN1)C(F)(F)F.
What is the InChIKey of [(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate?
The InChIKey is YFKWXGKHCZHDPI-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)5(11)12-3-4-1-2-10-4/h4,10H,1-3H2/t4-/m0/s1.
What are the key properties of [(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate?
[(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate has a molecular weight of 183.13 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 69064137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).