3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.3]heptan-1-amine

C13H22F3NO2 — CID 65294628

IUPAC3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCCOCC(F)(F)F)C12CCC2
InChIInChI=1S/C13H22F3NO2/c1-2-19-11-8-10(12(11)4-3-5-12)17-6-7-18-9-13(14,15)16/h10-11,17H,2-9H2,1H3
InChIKeyFNGKXUYATLARQT-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.50
Rot. Bonds7

About 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.3]heptan-1-amine

3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.3]heptan-1-amine (PubChem CID 65294628) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.3]heptan-1-amine
PubChem CID65294628
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCCOCC(F)(F)F)C12CCC2
InChIInChI=1S/C13H22F3NO2/c1-2-19-11-8-10(12(11)4-3-5-12)17-6-7-18-9-13(14,15)16/h10-11,17H,2-9H2,1H3
InChIKeyFNGKXUYATLARQT-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.50
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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Related Compounds

3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850373
2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850406
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine
CID 64863452
3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine
CID 64863866
3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine
CID 64865232
3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine
CID 65169610
3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine
CID 65169613
3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 65169660
3-ethoxy-2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 65169663
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 65170651
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]ethanamine
CID 65196377

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.3]heptan-1-amine (CID 65294628) is 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.3]heptan-1-amine is CCOC1CC(NCCOCC(F)(F)F)C12CCC2.
What is the InChIKey of 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.3]heptan-1-amine?
The InChIKey is FNGKXUYATLARQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-2-19-11-8-10(12(11)4-3-5-12)17-6-7-18-9-13(14,15)16/h10-11,17H,2-9H2,1H3.
What are the key properties of 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.3]heptan-1-amine?
3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.3]heptan-1-amine has a molecular weight of 281.32 g/mol, XLogP of 2.50, 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[3.3]heptan-1-amine is sourced from PubChem (CID 65294628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).