N-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine

C10H17F2NO2 — CID 115405683

IUPACN-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)CNC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H17F2NO2/c11-9(12)7-13-8-1-3-10(4-2-8)14-5-6-15-10/h8-9,13H,1-7H2
InChIKeyZDFNSBMSMXITFG-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.53
Rot. Bonds3

About N-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine

N-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 115405683) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID115405683
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC NameN-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)CNC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H17F2NO2/c11-9(12)7-13-8-1-3-10(4-2-8)14-5-6-15-10/h8-9,13H,1-7H2
InChIKeyZDFNSBMSMXITFG-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 115405683) is N-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine is FC(F)CNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is ZDFNSBMSMXITFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c11-9(12)7-13-8-1-3-10(4-2-8)14-5-6-15-10/h8-9,13H,1-7H2.
What are the key properties of N-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 221.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 115405683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).