2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C13H21F3N2O3 — CID 75356174

IUPAC2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H21F3N2O3/c1-18(8-11(19)17-9-13(14,15)16)10-2-4-12(5-3-10)20-6-7-21-12/h10H,2-9H2,1H3,(H,17,19)
InChIKeyDRHPEQOZVWIHDD-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.28
Rot. Bonds4

About 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 75356174) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID75356174
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H21F3N2O3/c1-18(8-11(19)17-9-13(14,15)16)10-2-4-12(5-3-10)20-6-7-21-12/h10H,2-9H2,1H3,(H,17,19)
InChIKeyDRHPEQOZVWIHDD-UHFFFAOYSA-N
XLogP1.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 75356174) is 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)C1CCC2(CC1)OCCO2.
What is the InChIKey of 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DRHPEQOZVWIHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-18(8-11(19)17-9-13(14,15)16)10-2-4-12(5-3-10)20-6-7-21-12/h10H,2-9H2,1H3,(H,17,19).
What are the key properties of 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 310.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 75356174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).