2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H17F3N2O3 — CID 112725276

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCC2(CC1)OCCO2)NCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)8-15-9(17)7-16-3-1-10(2-4-16)18-5-6-19-10/h1-8H2,(H,15,17)
InChIKeyRDYGYAVWJRDLGC-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.50
Rot. Bonds3

About 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 112725276) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID112725276
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCC2(CC1)OCCO2)NCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)8-15-9(17)7-16-3-1-10(2-4-16)18-5-6-19-10/h1-8H2,(H,15,17)
InChIKeyRDYGYAVWJRDLGC-UHFFFAOYSA-N
XLogP0.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Cyclohexylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 1439903
n-Isopropyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 34225220
N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 51077599
2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 71923273
N-(2-cyanoethyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 34227225
N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
CID 45808278
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)acetamide
CID 52263114
n-(2-Methoxyethyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 53525519
1-(4-Ethylpiperazin-4-ium-1-yl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone
CID 7593254
2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 56336403
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60506864
2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 75431180

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 112725276) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCC2(CC1)OCCO2)NCC(F)(F)F.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RDYGYAVWJRDLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c12-11(13,14)8-15-9(17)7-16-3-1-10(2-4-16)18-5-6-19-10/h1-8H2,(H,15,17).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 282.26 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 112725276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).