3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine

C13H22F3NO — CID 65170650

IUPAC3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C13H22F3NO/c1-2-18-11-8-10(17-9-13(14,15)16)12(11)6-4-3-5-7-12/h10-11,17H,2-9H2,1H3
InChIKeyDBPHFPXPHWCMBP-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.27
Rot. Bonds4

About 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine

3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine (PubChem CID 65170650) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
PubChem CID65170650
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C13H22F3NO/c1-2-18-11-8-10(17-9-13(14,15)16)12(11)6-4-3-5-7-12/h10-11,17H,2-9H2,1H3
InChIKeyDBPHFPXPHWCMBP-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2-methylpropan-2-ol
CID 65169617
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol
CID 104860510
3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine
CID 115517615
1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol
CID 65108075
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.6]decan-1-amine
CID 82956691
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine
CID 82958075
5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol
CID 103921801
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 115906347
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
CID 65168000
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol
CID 106284498

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine (CID 65170650) is 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine is CCOC1CC(NCC(F)(F)F)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine?
The InChIKey is DBPHFPXPHWCMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-2-18-11-8-10(17-9-13(14,15)16)12(11)6-4-3-5-7-12/h10-11,17H,2-9H2,1H3.
What are the key properties of 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine?
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 65170650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).