3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol

C12H21F2NO2 — CID 104860510

IUPAC3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCOC1CC(NCC(F)(F)CO)C12CCC2
InChIInChI=1S/C12H21F2NO2/c1-2-17-10-6-9(11(10)4-3-5-11)15-7-12(13,14)8-16/h9-10,15-16H,2-8H2,1H3
InChIKeyFIZHARYAHWWKLL-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.55
Rot. Bonds6

About 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol

3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 104860510) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID104860510
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC Name3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCOC1CC(NCC(F)(F)CO)C12CCC2
InChIInChI=1S/C12H21F2NO2/c1-2-17-10-6-9(11(10)4-3-5-11)15-7-12(13,14)8-16/h9-10,15-16H,2-8H2,1H3
InChIKeyFIZHARYAHWWKLL-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2-methylpropan-2-ol
CID 65169617
1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol
CID 65108075
5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol
CID 103921801
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
CID 113352285
3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine
CID 115517615
1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol
CID 103921423
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide
CID 65295630
2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol
CID 64862901
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol (CID 104860510) is 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol is CCOC1CC(NCC(F)(F)CO)C12CCC2.
What is the InChIKey of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is FIZHARYAHWWKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c1-2-17-10-6-9(11(10)4-3-5-11)15-7-12(13,14)8-16/h9-10,15-16H,2-8H2,1H3.
What are the key properties of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol?
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 249.30 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104860510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).