3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine

C14H24F3NO — CID 65169610

IUPAC3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C14H24F3NO/c1-2-19-12-10-11(18-9-8-14(15,16)17)13(12)6-4-3-5-7-13/h11-12,18H,2-10H2,1H3
InChIKeyULWWRWFOAOZFFE-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.66
Rot. Bonds5

About 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine

3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine (PubChem CID 65169610) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine
PubChem CID65169610
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C14H24F3NO/c1-2-19-12-10-11(18-9-8-14(15,16)17)13(12)6-4-3-5-7-13/h11-12,18H,2-10H2,1H3
InChIKeyULWWRWFOAOZFFE-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.66
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[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine (CID 65169610) is 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine is CCOC1CC(NCCC(F)(F)F)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine?
The InChIKey is ULWWRWFOAOZFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-2-19-12-10-11(18-9-8-14(15,16)17)13(12)6-4-3-5-7-13/h11-12,18H,2-10H2,1H3.
What are the key properties of 3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine?
3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.66, 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[3.5]nonan-1-amine is sourced from PubChem (CID 65169610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).