N-(2,2,2-trifluoroethyl)-1,9-dioxaspiro[5.5]undecan-4-amine

C11H18F3NO2 — CID 79897958

IUPACN-(2,2,2-trifluoroethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESFC(F)(F)CNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)8-15-9-1-4-17-10(7-9)2-5-16-6-3-10/h9,15H,1-8H2
InChIKeyHSPOSCFZHHVXBN-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.87
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-1,9-dioxaspiro[5.5]undecan-4-amine

N-(2,2,2-trifluoroethyl)-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 79897958) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID79897958
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC NameN-(2,2,2-trifluoroethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESFC(F)(F)CNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)8-15-9-1-4-17-10(7-9)2-5-16-6-3-10/h9,15H,1-8H2
InChIKeyHSPOSCFZHHVXBN-UHFFFAOYSA-N
XLogP1.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.87
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)-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1,9-dioxaspiro[5.5]undecan-4-amine (CID 79897958) is N-(2,2,2-trifluoroethyl)-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1,9-dioxaspiro[5.5]undecan-4-amine is FC(F)(F)CNC1CCOC2(CCOCC2)C1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is HSPOSCFZHHVXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)8-15-9-1-4-17-10(7-9)2-5-16-6-3-10/h9,15H,1-8H2.
What are the key properties of N-(2,2,2-trifluoroethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
N-(2,2,2-trifluoroethyl)-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 253.26 g/mol, XLogP of 1.87, 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)-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79897958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).