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

C13H22F3NO2 — CID 103148203

IUPAC1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)9-18-6-3-11(17)10-2-7-19-12(8-10)4-1-5-12/h10-11H,1-9,17H2
InChIKeyKYHSHGVYUTWIPX-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.63
Rot. Bonds5

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

1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148203) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148203
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)9-18-6-3-11(17)10-2-7-19-12(8-10)4-1-5-12/h10-11H,1-9,17H2
InChIKeyKYHSHGVYUTWIPX-UHFFFAOYSA-N
XLogP2.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.63
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 1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148203) is 1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is NC(CCOCC(F)(F)F)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is KYHSHGVYUTWIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c14-13(15,16)9-18-6-3-11(17)10-2-7-19-12(8-10)4-1-5-12/h10-11H,1-9,17H2.
What are the key properties of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 281.32 g/mol, XLogP of 2.63, 5 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)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).