N-(2,2,2-trifluoroethyl)-6-oxaspiro[4.5]decan-9-amine

C11H18F3NO — CID 79897957

IUPACN-(2,2,2-trifluoroethyl)-6-oxaspiro[4.5]decan-9-amine
SMILESFC(F)(F)CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-15-9-3-6-16-10(7-9)4-1-2-5-10/h9,15H,1-8H2
InChIKeyVFSSGKKUHFLGOV-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.63
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-6-oxaspiro[4.5]decan-9-amine

N-(2,2,2-trifluoroethyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 79897957) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID79897957
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC NameN-(2,2,2-trifluoroethyl)-6-oxaspiro[4.5]decan-9-amine
SMILESFC(F)(F)CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-15-9-3-6-16-10(7-9)4-1-2-5-10/h9,15H,1-8H2
InChIKeyVFSSGKKUHFLGOV-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.63
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)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-6-oxaspiro[4.5]decan-9-amine (CID 79897957) is N-(2,2,2-trifluoroethyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-6-oxaspiro[4.5]decan-9-amine is FC(F)(F)CNC1CCOC2(CCCC2)C1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is VFSSGKKUHFLGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)8-15-9-3-6-16-10(7-9)4-1-2-5-10/h9,15H,1-8H2.
What are the key properties of N-(2,2,2-trifluoroethyl)-6-oxaspiro[4.5]decan-9-amine?
N-(2,2,2-trifluoroethyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 237.26 g/mol, XLogP of 2.63, 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)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79897957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).