(3-propan-2-yloxyazetidin-1-yl) 2,2,2-trifluoroacetate

C8H12F3NO3 — CID 146273064

IUPAC(3-propan-2-yloxyazetidin-1-yl) 2,2,2-trifluoroacetate
SMILESCC(C)OC1CN(OC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO3/c1-5(2)14-6-3-12(4-6)15-7(13)8(9,10)11/h5-6H,3-4H2,1-2H3
InChIKeyRHSHXRPZPFXUMC-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.12
Rot. Bonds3

About (3-propan-2-yloxyazetidin-1-yl) 2,2,2-trifluoroacetate

(3-propan-2-yloxyazetidin-1-yl) 2,2,2-trifluoroacetate (PubChem CID 146273064) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is (3-propan-2-yloxyazetidin-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(3-propan-2-yloxyazetidin-1-yl) 2,2,2-trifluoroacetate
PubChem CID146273064
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name(3-propan-2-yloxyazetidin-1-yl) 2,2,2-trifluoroacetate
SMILESCC(C)OC1CN(OC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO3/c1-5(2)14-6-3-12(4-6)15-7(13)8(9,10)11/h5-6H,3-4H2,1-2H3
InChIKeyRHSHXRPZPFXUMC-UHFFFAOYSA-N
XLogP1.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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 (3-propan-2-yloxyazetidin-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (3-propan-2-yloxyazetidin-1-yl) 2,2,2-trifluoroacetate (CID 146273064) is (3-propan-2-yloxyazetidin-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (3-propan-2-yloxyazetidin-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (3-propan-2-yloxyazetidin-1-yl) 2,2,2-trifluoroacetate is CC(C)OC1CN(OC(=O)C(F)(F)F)C1.
What is the InChIKey of (3-propan-2-yloxyazetidin-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is RHSHXRPZPFXUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-5(2)14-6-3-12(4-6)15-7(13)8(9,10)11/h5-6H,3-4H2,1-2H3.
What are the key properties of (3-propan-2-yloxyazetidin-1-yl) 2,2,2-trifluoroacetate?
(3-propan-2-yloxyazetidin-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 227.18 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxyazetidin-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 146273064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).