N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-oxaspiro[5.5]undecan-4-amine

C14H24F3NO2 — CID 79903435

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESFC(F)(F)COCCNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H24F3NO2/c15-14(16,17)11-19-9-7-18-12-4-8-20-13(10-12)5-2-1-3-6-13/h12,18H,1-11H2
InChIKeyAMSVZBIGRXRCMP-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.04
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-oxaspiro[5.5]undecan-4-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79903435) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79903435
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESFC(F)(F)COCCNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H24F3NO2/c15-14(16,17)11-19-9-7-18-12-4-8-20-13(10-12)5-2-1-3-6-13/h12,18H,1-11H2
InChIKeyAMSVZBIGRXRCMP-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.04
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]-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-oxaspiro[5.5]undecan-4-amine (CID 79903435) is N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-oxaspiro[5.5]undecan-4-amine is FC(F)(F)COCCNC1CCOC2(CCCCC2)C1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is AMSVZBIGRXRCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c15-14(16,17)11-19-9-7-18-12-4-8-20-13(10-12)5-2-1-3-6-13/h12,18H,1-11H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 295.34 g/mol, XLogP of 3.04, 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]-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79903435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).