7-(2,2-difluoroethoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C11H19F2NO3 — CID 82005165

IUPAC7-(2,2-difluoroethoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1OCC(F)F)OCCO2
InChIInChI=1S/C11H19F2NO3/c1-14-8-2-3-11(16-4-5-17-11)6-9(8)15-7-10(12)13/h8-10,14H,2-7H2,1H3
InChIKeySFOVIBSBUBVOOO-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.15
Rot. Bonds4

About 7-(2,2-difluoroethoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

7-(2,2-difluoroethoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 82005165) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is 7-(2,2-difluoroethoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(2,2-difluoroethoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID82005165
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name7-(2,2-difluoroethoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1OCC(F)F)OCCO2
InChIInChI=1S/C11H19F2NO3/c1-14-8-2-3-11(16-4-5-17-11)6-9(8)15-7-10(12)13/h8-10,14H,2-7H2,1H3
InChIKeySFOVIBSBUBVOOO-UHFFFAOYSA-N
XLogP1.15
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(2,2-difluoroethoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 82005165) is 7-(2,2-difluoroethoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(2,2-difluoroethoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(2,2-difluoroethoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CNC1CCC2(CC1OCC(F)F)OCCO2.
What is the InChIKey of 7-(2,2-difluoroethoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is SFOVIBSBUBVOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-14-8-2-3-11(16-4-5-17-11)6-9(8)15-7-10(12)13/h8-10,14H,2-7H2,1H3.
What are the key properties of 7-(2,2-difluoroethoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
7-(2,2-difluoroethoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 251.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 82005165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).