2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanamine

C10H17F2NO2 — CID 163240198

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanamine
SMILESNCC(F)(F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H17F2NO2/c11-10(12,7-13)8-1-3-9(4-2-8)14-5-6-15-9/h8H,1-7,13H2
InChIKeyYDHOHSKPCCTKFN-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.51
Rot. Bonds2

About 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanamine

2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanamine (PubChem CID 163240198) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanamine
PubChem CID163240198
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanamine
SMILESNCC(F)(F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H17F2NO2/c11-10(12,7-13)8-1-3-9(4-2-8)14-5-6-15-9/h8H,1-7,13H2
InChIKeyYDHOHSKPCCTKFN-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanamine?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanamine (CID 163240198) is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanamine.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanamine?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanamine is NCC(F)(F)C1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanamine?
The InChIKey is YDHOHSKPCCTKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c11-10(12,7-13)8-1-3-9(4-2-8)14-5-6-15-9/h8H,1-7,13H2.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanamine?
2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanamine has a molecular weight of 221.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanamine is sourced from PubChem (CID 163240198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).