[2-(3-fluoroazetidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate

C7H7F4NO3 — CID 162768567

IUPAC[2-(3-fluoroazetidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESO=C(COC(=O)C(F)(F)F)N1CC(F)C1
InChIInChI=1S/C7H7F4NO3/c8-4-1-12(2-4)5(13)3-15-6(14)7(9,10)11/h4H,1-3H2
InChIKeyLZWZZSSOSKGRMM-UHFFFAOYSA-N
MW229.13 g/mol
LogP0.27
Rot. Bonds2

About [2-(3-fluoroazetidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate

[2-(3-fluoroazetidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate (PubChem CID 162768567) has the molecular formula C7H7F4NO3 and a molecular weight of 229.13 g/mol. Its IUPAC name is [2-(3-fluoroazetidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-(3-fluoroazetidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate
PubChem CID162768567
Molecular FormulaC7H7F4NO3
Molecular Weight229.13 g/mol
Exact Mass229.04
IUPAC Name[2-(3-fluoroazetidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESO=C(COC(=O)C(F)(F)F)N1CC(F)C1
InChIInChI=1S/C7H7F4NO3/c8-4-1-12(2-4)5(13)3-15-6(14)7(9,10)11/h4H,1-3H2
InChIKeyLZWZZSSOSKGRMM-UHFFFAOYSA-N
XLogP0.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.13
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroazetidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-(3-fluoroazetidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate (CID 162768567) is [2-(3-fluoroazetidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-(3-fluoroazetidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-(3-fluoroazetidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate is O=C(COC(=O)C(F)(F)F)N1CC(F)C1.
What is the InChIKey of [2-(3-fluoroazetidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate?
The InChIKey is LZWZZSSOSKGRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4NO3/c8-4-1-12(2-4)5(13)3-15-6(14)7(9,10)11/h4H,1-3H2.
What are the key properties of [2-(3-fluoroazetidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate?
[2-(3-fluoroazetidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate has a molecular weight of 229.13 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroazetidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 162768567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).