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

C10H14F3NO3 — CID 78916907

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCC2(CC1)OCCO2)C(F)(F)F
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)8(15)14-7-1-3-9(4-2-7)16-5-6-17-9/h7H,1-6H2,(H,14,15)
InChIKeyLAUXOFHGZBBPIC-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.35
Rot. Bonds1

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroacetamide (PubChem CID 78916907) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroacetamide
PubChem CID78916907
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCC2(CC1)OCCO2)C(F)(F)F
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)8(15)14-7-1-3-9(4-2-7)16-5-6-17-9/h7H,1-6H2,(H,14,15)
InChIKeyLAUXOFHGZBBPIC-UHFFFAOYSA-N
XLogP1.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroacetamide (CID 78916907) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroacetamide is O=C(NC1CCC2(CC1)OCCO2)C(F)(F)F.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroacetamide?
The InChIKey is LAUXOFHGZBBPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)8(15)14-7-1-3-9(4-2-7)16-5-6-17-9/h7H,1-6H2,(H,14,15).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroacetamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroacetamide has a molecular weight of 253.22 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 78916907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).