1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine

C10H17F2NO2 — CID 103516936

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine
SMILESNC(C(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C10H17F2NO2/c11-9(12)8(13)7-1-3-15-10(5-7)2-4-14-6-10/h7-9H,1-6,13H2
InChIKeyVYPDJOQGOSYJKP-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.16
Rot. Bonds2

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine (PubChem CID 103516936) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine
PubChem CID103516936
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine
SMILESNC(C(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C10H17F2NO2/c11-9(12)8(13)7-1-3-15-10(5-7)2-4-14-6-10/h7-9H,1-6,13H2
InChIKeyVYPDJOQGOSYJKP-UHFFFAOYSA-N
XLogP1.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine (CID 103516936) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine is NC(C(F)F)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine?
The InChIKey is VYPDJOQGOSYJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c11-9(12)8(13)7-1-3-15-10(5-7)2-4-14-6-10/h7-9H,1-6,13H2.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine has a molecular weight of 221.25 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine is sourced from PubChem (CID 103516936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).