N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine

C10H16F3NO — CID 79897879

IUPACN-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESFC(F)(F)CNC1CCOC2(CCC2)C1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)7-14-8-2-5-15-9(6-8)3-1-4-9/h8,14H,1-7H2
InChIKeyJSSFEYDJXNUDHI-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.24
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine

N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79897879) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79897879
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC NameN-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESFC(F)(F)CNC1CCOC2(CCC2)C1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)7-14-8-2-5-15-9(6-8)3-1-4-9/h8,14H,1-7H2
InChIKeyJSSFEYDJXNUDHI-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79897879) is N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine is FC(F)(F)CNC1CCOC2(CCC2)C1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is JSSFEYDJXNUDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)7-14-8-2-5-15-9(6-8)3-1-4-9/h8,14H,1-7H2.
What are the key properties of N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 223.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79897879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).