N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide

C11H16F3NO3 — CID 79112046

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C11H16F3NO3/c1-15(9(16)11(12,13)14)8-2-4-10(5-3-8)17-6-7-18-10/h8H,2-7H2,1H3
InChIKeyMPDQDAKPTYGHIP-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.69
Rot. Bonds1

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 79112046) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID79112046
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C11H16F3NO3/c1-15(9(16)11(12,13)14)8-2-4-10(5-3-8)17-6-7-18-10/h8H,2-7H2,1H3
InChIKeyMPDQDAKPTYGHIP-UHFFFAOYSA-N
XLogP1.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide (CID 79112046) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is MPDQDAKPTYGHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-15(9(16)11(12,13)14)8-2-4-10(5-3-8)17-6-7-18-10/h8H,2-7H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 267.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 79112046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).