N-(azetidin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C7H11F3N2O2 — CID 103806684

IUPACN-(azetidin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1CNC1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)4-14-3-6(13)12-5-1-11-2-5/h5,11H,1-4H2,(H,12,13)
InChIKeyFGSRRYXIRHSEMI-UHFFFAOYSA-N
MW212.17 g/mol
LogP-0.35
Rot. Bonds4

About N-(azetidin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(azetidin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103806684) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103806684
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC NameN-(azetidin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1CNC1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)4-14-3-6(13)12-5-1-11-2-5/h5,11H,1-4H2,(H,12,13)
InChIKeyFGSRRYXIRHSEMI-UHFFFAOYSA-N
XLogP-0.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(azetidin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103806684) is N-(azetidin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(azetidin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is FGSRRYXIRHSEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)4-14-3-6(13)12-5-1-11-2-5/h5,11H,1-4H2,(H,12,13).
What are the key properties of N-(azetidin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(azetidin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 212.17 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103806684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).