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

C13H21F4NO2 — CID 103475216

IUPAC1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESNC(COCC(F)(F)C(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H21F4NO2/c14-11(15)13(16,17)8-19-7-10(18)9-2-5-20-12(6-9)3-1-4-12/h9-11H,1-8,18H2
InChIKeyQOTDUXQAZPOFPB-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.58
Rot. Bonds6

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

1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475216) has the molecular formula C13H21F4NO2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475216
Molecular FormulaC13H21F4NO2
Molecular Weight299.31 g/mol
Exact Mass299.15
IUPAC Name1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESNC(COCC(F)(F)C(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H21F4NO2/c14-11(15)13(16,17)8-19-7-10(18)9-2-5-20-12(6-9)3-1-4-12/h9-11H,1-8,18H2
InChIKeyQOTDUXQAZPOFPB-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 104748992
3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 103148828
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
2-amino-2-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79922665
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine
CID 79911954
2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 103516870
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 114211655
4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 105166209
2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911507
1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 104753405
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 113391352

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475216) is 1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is NC(COCC(F)(F)C(F)F)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is QOTDUXQAZPOFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F4NO2/c14-11(15)13(16,17)8-19-7-10(18)9-2-5-20-12(6-9)3-1-4-12/h9-11H,1-8,18H2.
What are the key properties of 1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 299.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).