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

C13H24FNO — CID 115906512

IUPAC3-ethoxy-N-(3-fluoropropyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCCCF)C12CCCC2
InChIInChI=1S/C13H24FNO/c1-2-16-12-10-11(15-9-5-8-14)13(12)6-3-4-7-13/h11-12,15H,2-10H2,1H3
InChIKeyYSKDUXXDDHDHOY-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.67
Rot. Bonds6

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

3-ethoxy-N-(3-fluoropropyl)spiro[3.4]octan-1-amine (PubChem CID 115906512) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-ethoxy-N-(3-fluoropropyl)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(3-fluoropropyl)spiro[3.4]octan-1-amine
PubChem CID115906512
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name3-ethoxy-N-(3-fluoropropyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCCCF)C12CCCC2
InChIInChI=1S/C13H24FNO/c1-2-16-12-10-11(15-9-5-8-14)13(12)6-3-4-7-13/h11-12,15H,2-10H2,1H3
InChIKeyYSKDUXXDDHDHOY-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-fluoropropyl)spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-(3-fluoropropyl)spiro[3.4]octan-1-amine (CID 115906512) is 3-ethoxy-N-(3-fluoropropyl)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(3-fluoropropyl)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-(3-fluoropropyl)spiro[3.4]octan-1-amine is CCOC1CC(NCCCF)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-(3-fluoropropyl)spiro[3.4]octan-1-amine?
The InChIKey is YSKDUXXDDHDHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-2-16-12-10-11(15-9-5-8-14)13(12)6-3-4-7-13/h11-12,15H,2-10H2,1H3.
What are the key properties of 3-ethoxy-N-(3-fluoropropyl)spiro[3.4]octan-1-amine?
3-ethoxy-N-(3-fluoropropyl)spiro[3.4]octan-1-amine has a molecular weight of 229.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-fluoropropyl)spiro[3.4]octan-1-amine is sourced from PubChem (CID 115906512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).