1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C9H15F3N2O2 — CID 103212940

IUPAC1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCC1(N)CN(C(=O)COCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-2-8(13)4-14(5-8)7(15)3-16-6-9(10,11)12/h2-6,13H2,1H3
InChIKeyKLFASOVJTWCQBY-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.51
Rot. Bonds4

About 1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103212940) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103212940
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCC1(N)CN(C(=O)COCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-2-8(13)4-14(5-8)7(15)3-16-6-9(10,11)12/h2-6,13H2,1H3
InChIKeyKLFASOVJTWCQBY-UHFFFAOYSA-N
XLogP0.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103212940) is 1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is CCC1(N)CN(C(=O)COCC(F)(F)F)C1.
What is the InChIKey of 1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is KLFASOVJTWCQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-2-8(13)4-14(5-8)7(15)3-16-6-9(10,11)12/h2-6,13H2,1H3.
What are the key properties of 1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 240.22 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103212940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).