3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine

C13H22F3NO — CID 64863866

IUPAC3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCCC(F)(F)F)C12CCCC2
InChIInChI=1S/C13H22F3NO/c1-2-18-11-9-10(12(11)5-3-4-6-12)17-8-7-13(14,15)16/h10-11,17H,2-9H2,1H3
InChIKeyIOQVUIYANDSAAP-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.27
Rot. Bonds5

About 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine

3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine (PubChem CID 64863866) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine
PubChem CID64863866
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCCC(F)(F)F)C12CCCC2
InChIInChI=1S/C13H22F3NO/c1-2-18-11-9-10(12(11)5-3-4-6-12)17-8-7-13(14,15)16/h10-11,17H,2-9H2,1H3
InChIKeyIOQVUIYANDSAAP-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine (CID 64863866) is 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine is CCOC1CC(NCCC(F)(F)F)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine?
The InChIKey is IOQVUIYANDSAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-2-18-11-9-10(12(11)5-3-4-6-12)17-8-7-13(14,15)16/h10-11,17H,2-9H2,1H3.
What are the key properties of 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine?
3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine is sourced from PubChem (CID 64863866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).