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

C10H16F3NO2 — CID 24710506

IUPACN-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)CNC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-14-8-1-3-9(4-2-8)15-5-6-16-9/h8,14H,1-7H2
InChIKeyGQDKLMGAXQVVMI-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.82
Rot. Bonds2

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

N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 24710506) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID24710506
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC NameN-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)CNC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-14-8-1-3-9(4-2-8)15-5-6-16-9/h8,14H,1-7H2
InChIKeyGQDKLMGAXQVVMI-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 24710506) is N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine is FC(F)(F)CNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is GQDKLMGAXQVVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)7-14-8-1-3-9(4-2-8)15-5-6-16-9/h8,14H,1-7H2.
What are the key properties of N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 239.24 g/mol, XLogP of 1.82, 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)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 24710506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).