N-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine

C12H20F3NO2 — CID 79903120

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESFC(F)(F)COCCNC1CCOC2(CCC2)C1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)9-17-7-5-16-10-2-6-18-11(8-10)3-1-4-11/h10,16H,1-9H2
InChIKeyIJCQQBYKPKIPKK-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.26
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79903120) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79903120
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESFC(F)(F)COCCNC1CCOC2(CCC2)C1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)9-17-7-5-16-10-2-6-18-11(8-10)3-1-4-11/h10,16H,1-9H2
InChIKeyIJCQQBYKPKIPKK-UHFFFAOYSA-N
XLogP2.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine (CID 79903120) is N-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine is FC(F)(F)COCCNC1CCOC2(CCC2)C1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is IJCQQBYKPKIPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)9-17-7-5-16-10-2-6-18-11(8-10)3-1-4-11/h10,16H,1-9H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 267.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79903120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).