N-(2,2,3,3-tetrafluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine

C11H17F4NO2 — CID 106290128

IUPACN-(2,2,3,3-tetrafluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)C(F)(F)CNC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H17F4NO2/c12-9(13)11(14,15)7-16-8-1-3-10(4-2-8)17-5-6-18-10/h8-9,16H,1-7H2
InChIKeyQXXSJHAEDDJOBB-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.16
Rot. Bonds4

About N-(2,2,3,3-tetrafluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine

N-(2,2,3,3-tetrafluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 106290128) has the molecular formula C11H17F4NO2 and a molecular weight of 271.25 g/mol. Its IUPAC name is N-(2,2,3,3-tetrafluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2,2,3,3-tetrafluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID106290128
Molecular FormulaC11H17F4NO2
Molecular Weight271.25 g/mol
Exact Mass271.12
IUPAC NameN-(2,2,3,3-tetrafluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)C(F)(F)CNC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H17F4NO2/c12-9(13)11(14,15)7-16-8-1-3-10(4-2-8)17-5-6-18-10/h8-9,16H,1-7H2
InChIKeyQXXSJHAEDDJOBB-UHFFFAOYSA-N
XLogP2.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,2,3,3-tetrafluoropropyl)-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
N-cyclohexyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 28424027
carbanide;N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroacetamide;osmium(2+)
CID 162589924
N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 24710506
N-[4-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 43730431
N-[2-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 43730708
N-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 43747449
N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63226092
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 63827310
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 75495416
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

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 106290128) is N-(2,2,3,3-tetrafluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2,2,3,3-tetrafluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(2,2,3,3-tetrafluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine is FC(F)C(F)(F)CNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(2,2,3,3-tetrafluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is QXXSJHAEDDJOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4NO2/c12-9(13)11(14,15)7-16-8-1-3-10(4-2-8)17-5-6-18-10/h8-9,16H,1-7H2.
What are the key properties of N-(2,2,3,3-tetrafluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(2,2,3,3-tetrafluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 271.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetrafluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 106290128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).