azetidin-3-yl 2,2,2-trifluoroacetate

C5H6F3NO2 — CID 66588430

IUPACazetidin-3-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1CNC1)C(F)(F)F
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)4(10)11-3-1-9-2-3/h3,9H,1-2H2
InChIKeyOEMDPGRDWORUQG-UHFFFAOYSA-N
MW169.10 g/mol
LogP0.06
Rot. Bonds1

About azetidin-3-yl 2,2,2-trifluoroacetate

azetidin-3-yl 2,2,2-trifluoroacetate (PubChem CID 66588430) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is azetidin-3-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Nameazetidin-3-yl 2,2,2-trifluoroacetate
PubChem CID66588430
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Nameazetidin-3-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1CNC1)C(F)(F)F
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)4(10)11-3-1-9-2-3/h3,9H,1-2H2
InChIKeyOEMDPGRDWORUQG-UHFFFAOYSA-N
XLogP0.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl 2,2,2-trifluoroacetate?
The IUPAC name of azetidin-3-yl 2,2,2-trifluoroacetate (CID 66588430) is azetidin-3-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for azetidin-3-yl 2,2,2-trifluoroacetate?
The canonical SMILES for azetidin-3-yl 2,2,2-trifluoroacetate is O=C(OC1CNC1)C(F)(F)F.
What is the InChIKey of azetidin-3-yl 2,2,2-trifluoroacetate?
The InChIKey is OEMDPGRDWORUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO2/c6-5(7,8)4(10)11-3-1-9-2-3/h3,9H,1-2H2.
What are the key properties of azetidin-3-yl 2,2,2-trifluoroacetate?
azetidin-3-yl 2,2,2-trifluoroacetate has a molecular weight of 169.10 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 66588430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).