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

C13H20F3NO3 — CID 79112344

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluoro-N-methylbutanamide
SMILESCN(C(=O)CCC(F)(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H20F3NO3/c1-17(11(18)4-7-13(14,15)16)10-2-5-12(6-3-10)19-8-9-20-12/h10H,2-9H2,1H3
InChIKeyAOTJQAYIXJPCQC-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.47
Rot. Bonds3

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluoro-N-methylbutanamide (PubChem CID 79112344) has the molecular formula C13H20F3NO3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluoro-N-methylbutanamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluoro-N-methylbutanamide
PubChem CID79112344
Molecular FormulaC13H20F3NO3
Molecular Weight295.30 g/mol
Exact Mass295.14
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluoro-N-methylbutanamide
SMILESCN(C(=O)CCC(F)(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H20F3NO3/c1-17(11(18)4-7-13(14,15)16)10-2-5-12(6-3-10)19-8-9-20-12/h10H,2-9H2,1H3
InChIKeyAOTJQAYIXJPCQC-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.47
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)-3,3,3-trifluoro-N-methylpropanamide
CID 79111972
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoro-N-methylacetamide
CID 79112046
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-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208506
3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropanamide
CID 103208507
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoro-N-methylacetamide
CID 103513801

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluoro-N-methylbutanamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluoro-N-methylbutanamide (CID 79112344) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluoro-N-methylbutanamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluoro-N-methylbutanamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluoro-N-methylbutanamide is CN(C(=O)CCC(F)(F)F)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluoro-N-methylbutanamide?
The InChIKey is AOTJQAYIXJPCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO3/c1-17(11(18)4-7-13(14,15)16)10-2-5-12(6-3-10)19-8-9-20-12/h10H,2-9H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluoro-N-methylbutanamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluoro-N-methylbutanamide has a molecular weight of 295.30 g/mol, XLogP of 2.47, 3 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)-4,4,4-trifluoro-N-methylbutanamide is sourced from PubChem (CID 79112344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).