N-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine

C10H16F3NO2 — CID 79897804

IUPACN-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESFC(F)(F)CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)6-14-8-1-3-16-9(5-8)2-4-15-7-9/h8,14H,1-7H2
InChIKeyGEKNYXAKGHJYAN-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.48
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79897804) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79897804
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC NameN-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESFC(F)(F)CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)6-14-8-1-3-16-9(5-8)2-4-15-7-9/h8,14H,1-7H2
InChIKeyGEKNYXAKGHJYAN-UHFFFAOYSA-N
XLogP1.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79897804) is N-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine is FC(F)(F)CNC1CCOC2(CCOC2)C1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is GEKNYXAKGHJYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)6-14-8-1-3-16-9(5-8)2-4-15-7-9/h8,14H,1-7H2.
What are the key properties of N-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 239.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79897804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).