N-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine

C10H16F3NO3 — CID 82711106

IUPACN-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)CONC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-14-8-1-3-9(4-2-8)15-5-6-16-9/h8,14H,1-7H2
InChIKeyHEKPVCRDXNWRAA-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.76
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine

N-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 82711106) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID82711106
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC NameN-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)CONC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-14-8-1-3-9(4-2-8)15-5-6-16-9/h8,14H,1-7H2
InChIKeyHEKPVCRDXNWRAA-UHFFFAOYSA-N
XLogP1.76
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine (CID 82711106) is N-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine is FC(F)(F)CONC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is HEKPVCRDXNWRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)7-17-14-8-1-3-9(4-2-8)15-5-6-16-9/h8,14H,1-7H2.
What are the key properties of N-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 255.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 82711106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).