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

C11H18F3NO2 — CID 79120488

IUPACN-methyl-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(CC(F)(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C11H18F3NO2/c1-15(8-11(12,13)14)9-2-4-10(5-3-9)16-6-7-17-10/h9H,2-8H2,1H3
InChIKeyBKCIDUBDWCXYDP-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.17
Rot. Bonds2

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

N-methyl-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 79120488) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID79120488
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(CC(F)(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C11H18F3NO2/c1-15(8-11(12,13)14)9-2-4-10(5-3-9)16-6-7-17-10/h9H,2-8H2,1H3
InChIKeyBKCIDUBDWCXYDP-UHFFFAOYSA-N
XLogP2.17
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 79120488) is N-methyl-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine is CN(CC(F)(F)F)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is BKCIDUBDWCXYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-15(8-11(12,13)14)9-2-4-10(5-3-9)16-6-7-17-10/h9H,2-8H2,1H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-methyl-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 253.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 79120488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).