3-(2,2-difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine

C13H23F2NO2 — CID 103149111

IUPAC3-(2,2-difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
SMILESNC(CCOCC(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H23F2NO2/c14-12(15)9-17-6-3-11(16)10-2-7-18-13(8-10)4-1-5-13/h10-12H,1-9,16H2
InChIKeyQVADZUWHKWLFOJ-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.33
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine

3-(2,2-difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine (PubChem CID 103149111) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
PubChem CID103149111
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name3-(2,2-difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
SMILESNC(CCOCC(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H23F2NO2/c14-12(15)9-17-6-3-11(16)10-2-7-18-13(8-10)4-1-5-13/h10-12H,1-9,16H2
InChIKeyQVADZUWHKWLFOJ-UHFFFAOYSA-N
XLogP2.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-Difluoro-6-oxaspiro[4.5]decan-9-amine hydrochloride
CID 169785543
9,9-Difluoro-1-oxaspiro[5.5]undecan-4-amine hydrochloride
CID 165948659
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026
4,4-Difluoro-6-oxaspiro[4.5]decan-9-amine
CID 168891874
9-(Trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 64756955
10-(Trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 64758459
N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897879
N-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79904109
{5-Oxaspiro[3.5]nonan-8-yl}methanamine
CID 79905068
3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79914370
3,3,3-Trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914930
3,3,3-Trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79915034

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine (CID 103149111) is 3-(2,2-difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine is NC(CCOCC(F)F)C1CCOC2(CCC2)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine?
The InChIKey is QVADZUWHKWLFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO2/c14-12(15)9-17-6-3-11(16)10-2-7-18-13(8-10)4-1-5-13/h10-12H,1-9,16H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine has a molecular weight of 263.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine is sourced from PubChem (CID 103149111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).