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

C13H20F3NO4 — CID 103208506

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(C(=O)COCC(F)(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H20F3NO4/c1-17(11(18)8-19-9-13(14,15)16)10-2-4-12(5-3-10)20-6-7-21-12/h10H,2-9H2,1H3
InChIKeyHDGLPVMDPBOZAO-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.71
Rot. Bonds4

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103208506) has the molecular formula C13H20F3NO4 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103208506
Molecular FormulaC13H20F3NO4
Molecular Weight311.30 g/mol
Exact Mass311.13
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(C(=O)COCC(F)(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H20F3NO4/c1-17(11(18)8-19-9-13(14,15)16)10-2-4-12(5-3-10)20-6-7-21-12/h10H,2-9H2,1H3
InChIKeyHDGLPVMDPBOZAO-UHFFFAOYSA-N
XLogP1.71
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103208506) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is CN(C(=O)COCC(F)(F)F)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is HDGLPVMDPBOZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO4/c1-17(11(18)8-19-9-13(14,15)16)10-2-4-12(5-3-10)20-6-7-21-12/h10H,2-9H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 311.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103208506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).