1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-one

C11H16F3NO3 — CID 164652775

IUPAC1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-one
SMILESCC(C)(C(=O)N1CCC2(C1)OCCO2)C(F)(F)F
InChIInChI=1S/C11H16F3NO3/c1-9(2,11(12,13)14)8(16)15-4-3-10(7-15)17-5-6-18-10/h3-7H2,1-2H3
InChIKeyNDEBBOLFSVDHLB-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.55
Rot. Bonds1

About 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-one

1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-one (PubChem CID 164652775) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-one
PubChem CID164652775
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-one
SMILESCC(C)(C(=O)N1CCC2(C1)OCCO2)C(F)(F)F
InChIInChI=1S/C11H16F3NO3/c1-9(2,11(12,13)14)8(16)15-4-3-10(7-15)17-5-6-18-10/h3-7H2,1-2H3
InChIKeyNDEBBOLFSVDHLB-UHFFFAOYSA-N
XLogP1.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-one (CID 164652775) is 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-one is CC(C)(C(=O)N1CCC2(C1)OCCO2)C(F)(F)F.
What is the InChIKey of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-one?
The InChIKey is NDEBBOLFSVDHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-9(2,11(12,13)14)8(16)15-4-3-10(7-15)17-5-6-18-10/h3-7H2,1-2H3.
What are the key properties of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-one?
1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-one has a molecular weight of 267.25 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-one is sourced from PubChem (CID 164652775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).