3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine

C13H24F3NO2 — CID 65169663

IUPAC3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCOCC(F)(F)F)C1(C)CC
InChIInChI=1S/C13H24F3NO2/c1-4-12(3)10(8-11(12)19-5-2)17-6-7-18-9-13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyXRVSQBPMLBCAHK-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.75
Rot. Bonds8

About 3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine

3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine (PubChem CID 65169663) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
PubChem CID65169663
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCOCC(F)(F)F)C1(C)CC
InChIInChI=1S/C13H24F3NO2/c1-4-12(3)10(8-11(12)19-5-2)17-6-7-18-9-13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyXRVSQBPMLBCAHK-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine (CID 65169663) is 3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine is CCOC1CC(NCCOCC(F)(F)F)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine?
The InChIKey is XRVSQBPMLBCAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-4-12(3)10(8-11(12)19-5-2)17-6-7-18-9-13(14,15)16/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine?
3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine has a molecular weight of 283.33 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 65169663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).