2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine

C12H20F3NO — CID 102896748

IUPAC2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESFC(F)(F)CNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-16-8-10-4-7-11(17-10)5-2-1-3-6-11/h10,16H,1-9H2
InChIKeyOCPDHRJUQZCZOU-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.02
Rot. Bonds3

About 2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine

2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (PubChem CID 102896748) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
PubChem CID102896748
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESFC(F)(F)CNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-16-8-10-4-7-11(17-10)5-2-1-3-6-11/h10,16H,1-9H2
InChIKeyOCPDHRJUQZCZOU-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (CID 102896748) is 2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is FC(F)(F)CNCC1CCC2(CCCCC2)O1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The InChIKey is OCPDHRJUQZCZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)9-16-8-10-4-7-11(17-10)5-2-1-3-6-11/h10,16H,1-9H2.
What are the key properties of 2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine has a molecular weight of 251.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is sourced from PubChem (CID 102896748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).