N-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine

C13H22F3NO2 — CID 115516969

IUPACN-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)CCCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)5-1-2-8-17-11-3-6-12(7-4-11)18-9-10-19-12/h11,17H,1-10H2
InChIKeyXXSVHLPEIYCNFA-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.99
Rot. Bonds5

About N-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine

N-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 115516969) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID115516969
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC NameN-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)CCCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)5-1-2-8-17-11-3-6-12(7-4-11)18-9-10-19-12/h11,17H,1-10H2
InChIKeyXXSVHLPEIYCNFA-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1,4-dioxaspiro(4.5)decan-8-amine
CID 16786570
7-(Trifluoromethyl)-1,4-dioxa-8-azaspiro(4.5)decane
CID 146155530
(7R,9R)-9-propyl-7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 12170417
N-cyclohexyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 28424027
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-3-(3,3,3-trifluoropropyl)urea
CID 71868565
1-(1,4-Dioxa-spiro[4.5]dec-8-yl)-4,4-difluoro-piperidine
CID 69643342
7-Fluoro-1,4-dioxa-spiro[4.5]dec-8-ylamine
CID 131193413
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-3,3-difluoroazetidine
CID 137484831
(7R,8R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine
CID 156194651
(7S,8R)-7-Fluoro-1,4-dioxaspiro[4.5]decan-8-amine
CID 156204063
carbanide;N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroacetamide;osmium(2+)
CID 162589924
3-Fluoro-1,4-dioxaspiro[4.5]decan-8-amine
CID 169324508

Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 115516969) is N-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine is FC(F)(F)CCCCNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is XXSVHLPEIYCNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c14-13(15,16)5-1-2-8-17-11-3-6-12(7-4-11)18-9-10-19-12/h11,17H,1-10H2.
What are the key properties of N-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 281.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 115516969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).