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

C11H19F2NO2 — CID 79120237

IUPACN-(2,2-difluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(CC(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C11H19F2NO2/c1-14(8-10(12)13)9-2-4-11(5-3-9)15-6-7-16-11/h9-10H,2-8H2,1H3
InChIKeyTXYNTMDKKAKJTL-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.87
Rot. Bonds3

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

N-(2,2-difluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 79120237) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID79120237
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC NameN-(2,2-difluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(CC(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C11H19F2NO2/c1-14(8-10(12)13)9-2-4-11(5-3-9)15-6-7-16-11/h9-10H,2-8H2,1H3
InChIKeyTXYNTMDKKAKJTL-UHFFFAOYSA-N
XLogP1.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 79120237) is N-(2,2-difluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CN(CC(F)F)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is TXYNTMDKKAKJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-14(8-10(12)13)9-2-4-11(5-3-9)15-6-7-16-11/h9-10H,2-8H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-(2,2-difluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 235.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 79120237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).