[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl] 2,2,2-trifluoroacetate

C8H9F6NO3 — CID 146273158

IUPAC[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl] 2,2,2-trifluoroacetate
SMILESCC(OC1CN(OC(=O)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C8H9F6NO3/c1-4(7(9,10)11)17-5-2-15(3-5)18-6(16)8(12,13)14/h4-5H,2-3H2,1H3
InChIKeyLCBXEWFJARCECO-UHFFFAOYSA-N
MW281.15 g/mol
LogP1.66
Rot. Bonds3

About [3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl] 2,2,2-trifluoroacetate

[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 146273158) has the molecular formula C8H9F6NO3 and a molecular weight of 281.15 g/mol. Its IUPAC name is [3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID146273158
Molecular FormulaC8H9F6NO3
Molecular Weight281.15 g/mol
Exact Mass281.05
IUPAC Name[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl] 2,2,2-trifluoroacetate
SMILESCC(OC1CN(OC(=O)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C8H9F6NO3/c1-4(7(9,10)11)17-5-2-15(3-5)18-6(16)8(12,13)14/h4-5H,2-3H2,1H3
InChIKeyLCBXEWFJARCECO-UHFFFAOYSA-N
XLogP1.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl] 2,2,2-trifluoroacetate (CID 146273158) is [3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl] 2,2,2-trifluoroacetate is CC(OC1CN(OC(=O)C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of [3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is LCBXEWFJARCECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6NO3/c1-4(7(9,10)11)17-5-2-15(3-5)18-6(16)8(12,13)14/h4-5H,2-3H2,1H3.
What are the key properties of [3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl] 2,2,2-trifluoroacetate?
[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 281.15 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 146273158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).