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

C11H19F2NO2 — CID 131208970

IUPACN-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(F)(F)CNC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H19F2NO2/c1-10(12,13)8-14-9-2-4-11(5-3-9)15-6-7-16-11/h9,14H,2-8H2,1H3
InChIKeyDTFJIQKMDOPWFI-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.92
Rot. Bonds3

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

N-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 131208970) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID131208970
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC NameN-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(F)(F)CNC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H19F2NO2/c1-10(12,13)8-14-9-2-4-11(5-3-9)15-6-7-16-11/h9,14H,2-8H2,1H3
InChIKeyDTFJIQKMDOPWFI-UHFFFAOYSA-N
XLogP1.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1,4-dioxaspiro(4.5)decan-8-amine
CID 16786570
(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
(3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol
CID 86793868
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
8-N-methyl-7-N-propyl-7-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 61751956
8-N-methyl-7-N-propan-2-yl-7-N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 61752933
N-ethyl-7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 61755092

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 131208970) is N-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine is CC(F)(F)CNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is DTFJIQKMDOPWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-10(12,13)8-14-9-2-4-11(5-3-9)15-6-7-16-11/h9,14H,2-8H2,1H3.
What are the key properties of N-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 235.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 131208970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).