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

C13H20F3NO3 — CID 91662371

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESO=C(CC1CCC2(CC1)OCCO2)NCCC(F)(F)F
InChIInChI=1S/C13H20F3NO3/c14-13(15,16)5-6-17-11(18)9-10-1-3-12(4-2-10)19-7-8-20-12/h10H,1-9H2,(H,17,18)
InChIKeyYCDHCFXLJHXLGH-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.38
Rot. Bonds4

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

2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 91662371) has the molecular formula C13H20F3NO3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID91662371
Molecular FormulaC13H20F3NO3
Molecular Weight295.30 g/mol
Exact Mass295.14
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESO=C(CC1CCC2(CC1)OCCO2)NCCC(F)(F)F
InChIInChI=1S/C13H20F3NO3/c14-13(15,16)5-6-17-11(18)9-10-1-3-12(4-2-10)19-7-8-20-12/h10H,1-9H2,(H,17,18)
InChIKeyYCDHCFXLJHXLGH-UHFFFAOYSA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.38
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)-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(3,3,3-trifluoropropyl)acetamide (CID 91662371) is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(3,3,3-trifluoropropyl)acetamide is O=C(CC1CCC2(CC1)OCCO2)NCCC(F)(F)F.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is YCDHCFXLJHXLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO3/c14-13(15,16)5-6-17-11(18)9-10-1-3-12(4-2-10)19-7-8-20-12/h10H,1-9H2,(H,17,18).
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(3,3,3-trifluoropropyl)acetamide?
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 295.30 g/mol, XLogP of 2.38, 4 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)-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 91662371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).