N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3,3-trifluoro-N-methylpropanamide

C12H18F3NO3 — CID 79111972

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(C(=O)CC(F)(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H18F3NO3/c1-16(10(17)8-12(13,14)15)9-2-4-11(5-3-9)18-6-7-19-11/h9H,2-8H2,1H3
InChIKeyCJTNXTAGUHELHT-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.08
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3,3-trifluoro-N-methylpropanamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3,3-trifluoro-N-methylpropanamide (PubChem CID 79111972) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3,3-trifluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3,3-trifluoro-N-methylpropanamide
PubChem CID79111972
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(C(=O)CC(F)(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H18F3NO3/c1-16(10(17)8-12(13,14)15)9-2-4-11(5-3-9)18-6-7-19-11/h9H,2-8H2,1H3
InChIKeyCJTNXTAGUHELHT-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

carbanide;N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroacetamide;osmium(2+)
CID 162589924
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroacetamide
CID 78916907
N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutanamide
CID 79035733
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide
CID 79112046
N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluoro-N-methylbutanamide
CID 79112344
N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 79118806
N-methyl-N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 79119915
N-(2,2-difluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120237
N-methyl-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120488
N-(2-fluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 80694873
N-(3-fluoropropyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 81106097
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208506

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3,3-trifluoro-N-methylpropanamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3,3-trifluoro-N-methylpropanamide (CID 79111972) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3,3-trifluoro-N-methylpropanamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3,3-trifluoro-N-methylpropanamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3,3-trifluoro-N-methylpropanamide is CN(C(=O)CC(F)(F)F)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3,3-trifluoro-N-methylpropanamide?
The InChIKey is CJTNXTAGUHELHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c1-16(10(17)8-12(13,14)15)9-2-4-11(5-3-9)18-6-7-19-11/h9H,2-8H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3,3-trifluoro-N-methylpropanamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3,3-trifluoro-N-methylpropanamide has a molecular weight of 281.27 g/mol, XLogP of 2.08, 2 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)-3,3,3-trifluoro-N-methylpropanamide is sourced from PubChem (CID 79111972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).