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

C12H20F3NO2 — CID 113326905

IUPACN-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)CCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)4-1-7-16-10-2-5-11(6-3-10)17-8-9-18-11/h10,16H,1-9H2
InChIKeyOMBADLDRBCJESA-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.60
Rot. Bonds4

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

N-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 113326905) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID113326905
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)CCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)4-1-7-16-10-2-5-11(6-3-10)17-8-9-18-11/h10,16H,1-9H2
InChIKeyOMBADLDRBCJESA-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.60
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-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 113326905) is N-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decan-8-amine is FC(F)(F)CCCNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is OMBADLDRBCJESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)4-1-7-16-10-2-5-11(6-3-10)17-8-9-18-11/h10,16H,1-9H2.
What are the key properties of N-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 267.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 113326905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).