3,3,3-trifluoro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine

C11H19F3N2O — CID 114279182

IUPAC3,3,3-trifluoro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine
SMILESNCC(N1CCC2(CCOCC2)C1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)9(7-15)16-4-1-10(8-16)2-5-17-6-3-10/h9H,1-8,15H2
InChIKeyLAQDQNQVXPBAPC-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.38
Rot. Bonds2

About 3,3,3-trifluoro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine

3,3,3-trifluoro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine (PubChem CID 114279182) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine
PubChem CID114279182
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name3,3,3-trifluoro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine
SMILESNCC(N1CCC2(CCOCC2)C1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)9(7-15)16-4-1-10(8-16)2-5-17-6-3-10/h9H,1-8,15H2
InChIKeyLAQDQNQVXPBAPC-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine (CID 114279182) is 3,3,3-trifluoro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine is NCC(N1CCC2(CCOCC2)C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine?
The InChIKey is LAQDQNQVXPBAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)9(7-15)16-4-1-10(8-16)2-5-17-6-3-10/h9H,1-8,15H2.
What are the key properties of 3,3,3-trifluoro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine?
3,3,3-trifluoro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine has a molecular weight of 252.28 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine is sourced from PubChem (CID 114279182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).