7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine

C10H16F3NO3 — CID 16793855

IUPAC7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1OCC(F)(F)F)OCCO2
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)6-15-8-5-9(2-1-7(8)14)16-3-4-17-9/h7-8H,1-6,14H2
InChIKeyRCGKOPLXEVDFNL-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.19
Rot. Bonds2

About 7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine

7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 16793855) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID16793855
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1OCC(F)(F)F)OCCO2
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)6-15-8-5-9(2-1-7(8)14)16-3-4-17-9/h7-8H,1-6,14H2
InChIKeyRCGKOPLXEVDFNL-UHFFFAOYSA-N
XLogP1.19
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine (CID 16793855) is 7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine is NC1CCC2(CC1OCC(F)(F)F)OCCO2.
What is the InChIKey of 7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is RCGKOPLXEVDFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)6-15-8-5-9(2-1-7(8)14)16-3-4-17-9/h7-8H,1-6,14H2.
What are the key properties of 7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 255.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 16793855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).