N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C14H23F4NO2 — CID 103475684

IUPACN-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H23F4NO2/c1-19-11(8-20-9-14(17,18)12(15)16)10-3-6-21-13(7-10)4-2-5-13/h10-12,19H,2-9H2,1H3
InChIKeyLQNRABKSQXKKOS-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.84
Rot. Bonds7

About N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475684) has the molecular formula C14H23F4NO2 and a molecular weight of 313.34 g/mol. Its IUPAC name is N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475684
Molecular FormulaC14H23F4NO2
Molecular Weight313.34 g/mol
Exact Mass313.17
IUPAC NameN-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H23F4NO2/c1-19-11(8-20-9-14(17,18)12(15)16)10-3-6-21-13(7-10)4-2-5-13/h10-12,19H,2-9H2,1H3
InChIKeyLQNRABKSQXKKOS-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475684) is N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CNC(COCC(F)(F)C(F)F)C1CCOC2(CCC2)C1.
What is the InChIKey of N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is LQNRABKSQXKKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F4NO2/c1-19-11(8-20-9-14(17,18)12(15)16)10-3-6-21-13(7-10)4-2-5-13/h10-12,19H,2-9H2,1H3.
What are the key properties of N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 313.34 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).