3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)propanamide

C13H21F2NO4 — CID 103208535

IUPAC3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)propanamide
SMILESO=C(CCOCC(F)F)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H21F2NO4/c14-11(15)9-18-6-3-12(17)16-10-1-4-13(5-2-10)19-7-8-20-13/h10-11H,1-9H2,(H,16,17)
InChIKeyGGNIVZOEDZHCBS-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.46
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)propanamide

3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)propanamide (PubChem CID 103208535) has the molecular formula C13H21F2NO4 and a molecular weight of 293.31 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)propanamide
PubChem CID103208535
Molecular FormulaC13H21F2NO4
Molecular Weight293.31 g/mol
Exact Mass293.14
IUPAC Name3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)propanamide
SMILESO=C(CCOCC(F)F)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H21F2NO4/c14-11(15)9-18-6-3-12(17)16-10-1-4-13(5-2-10)19-7-8-20-13/h10-11H,1-9H2,(H,16,17)
InChIKeyGGNIVZOEDZHCBS-UHFFFAOYSA-N
XLogP1.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)propanamide (CID 103208535) is 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)propanamide is O=C(CCOCC(F)F)NC1CCC2(CC1)OCCO2.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)propanamide?
The InChIKey is GGNIVZOEDZHCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO4/c14-11(15)9-18-6-3-12(17)16-10-1-4-13(5-2-10)19-7-8-20-13/h10-11H,1-9H2,(H,16,17).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)propanamide?
3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)propanamide has a molecular weight of 293.31 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)propanamide is sourced from PubChem (CID 103208535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).