3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine

C14H24F3NO2 — CID 64865232

IUPAC3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCCOCC(F)(F)F)C12CCCC2
InChIInChI=1S/C14H24F3NO2/c1-2-20-12-9-11(13(12)5-3-4-6-13)18-7-8-19-10-14(15,16)17/h11-12,18H,2-10H2,1H3
InChIKeyMCIKVWJZPGKERO-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.89
Rot. Bonds7

About 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine

3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine (PubChem CID 64865232) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine
PubChem CID64865232
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC Name3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCCOCC(F)(F)F)C12CCCC2
InChIInChI=1S/C14H24F3NO2/c1-2-20-12-9-11(13(12)5-3-4-6-13)18-7-8-19-10-14(15,16)17/h11-12,18H,2-10H2,1H3
InChIKeyMCIKVWJZPGKERO-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.89
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-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine (CID 64865232) is 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine is CCOC1CC(NCCOCC(F)(F)F)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine?
The InChIKey is MCIKVWJZPGKERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-2-20-12-9-11(13(12)5-3-4-6-13)18-7-8-19-10-14(15,16)17/h11-12,18H,2-10H2,1H3.
What are the key properties of 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine?
3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine has a molecular weight of 295.34 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine is sourced from PubChem (CID 64865232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).