[3-(trifluoromethoxy)azetidin-1-yl] acetate

C6H8F3NO3 — CID 154023604

IUPAC[3-(trifluoromethoxy)azetidin-1-yl] acetate
SMILESCC(=O)ON1CC(OC(F)(F)F)C1
InChIInChI=1S/C6H8F3NO3/c1-4(11)13-10-2-5(3-10)12-6(7,8)9/h5H,2-3H2,1H3
InChIKeyUPUCLQULXLHVMJ-UHFFFAOYSA-N
MW199.13 g/mol
LogP0.69
Rot. Bonds2

About [3-(trifluoromethoxy)azetidin-1-yl] acetate

[3-(trifluoromethoxy)azetidin-1-yl] acetate (PubChem CID 154023604) has the molecular formula C6H8F3NO3 and a molecular weight of 199.13 g/mol. Its IUPAC name is [3-(trifluoromethoxy)azetidin-1-yl] acetate.

Molecular Properties

Compound Name[3-(trifluoromethoxy)azetidin-1-yl] acetate
PubChem CID154023604
Molecular FormulaC6H8F3NO3
Molecular Weight199.13 g/mol
Exact Mass199.05
IUPAC Name[3-(trifluoromethoxy)azetidin-1-yl] acetate
SMILESCC(=O)ON1CC(OC(F)(F)F)C1
InChIInChI=1S/C6H8F3NO3/c1-4(11)13-10-2-5(3-10)12-6(7,8)9/h5H,2-3H2,1H3
InChIKeyUPUCLQULXLHVMJ-UHFFFAOYSA-N
XLogP0.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethoxy)azetidin-1-yl] acetate?
The IUPAC name of [3-(trifluoromethoxy)azetidin-1-yl] acetate (CID 154023604) is [3-(trifluoromethoxy)azetidin-1-yl] acetate.
What is the SMILES notation for [3-(trifluoromethoxy)azetidin-1-yl] acetate?
The canonical SMILES for [3-(trifluoromethoxy)azetidin-1-yl] acetate is CC(=O)ON1CC(OC(F)(F)F)C1.
What is the InChIKey of [3-(trifluoromethoxy)azetidin-1-yl] acetate?
The InChIKey is UPUCLQULXLHVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO3/c1-4(11)13-10-2-5(3-10)12-6(7,8)9/h5H,2-3H2,1H3.
What are the key properties of [3-(trifluoromethoxy)azetidin-1-yl] acetate?
[3-(trifluoromethoxy)azetidin-1-yl] acetate has a molecular weight of 199.13 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethoxy)azetidin-1-yl] acetate is sourced from PubChem (CID 154023604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).