1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one

C17H20F3NO4 — CID 167920461

IUPAC1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one
SMILESCC(Oc1ccccc1C(F)(F)F)C(=O)N1CCOC2(CCOC2)C1
InChIInChI=1S/C17H20F3NO4/c1-12(25-14-5-3-2-4-13(14)17(18,19)20)15(22)21-7-9-24-16(10-21)6-8-23-11-16/h2-5,12H,6-11H2,1H3
InChIKeyGSWSUXYOPGNPMP-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.49
Rot. Bonds3

About 1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one

1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one (PubChem CID 167920461) has the molecular formula C17H20F3NO4 and a molecular weight of 359.34 g/mol. Its IUPAC name is 1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one.

Molecular Properties

Compound Name1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one
PubChem CID167920461
Molecular FormulaC17H20F3NO4
Molecular Weight359.34 g/mol
Exact Mass359.13
IUPAC Name1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one
SMILESCC(Oc1ccccc1C(F)(F)F)C(=O)N1CCOC2(CCOC2)C1
InChIInChI=1S/C17H20F3NO4/c1-12(25-14-5-3-2-4-13(14)17(18,19)20)15(22)21-7-9-24-16(10-21)6-8-23-11-16/h2-5,12H,6-11H2,1H3
InChIKeyGSWSUXYOPGNPMP-UHFFFAOYSA-N
XLogP2.49
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one?
The IUPAC name of 1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one (CID 167920461) is 1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one.
What is the SMILES notation for 1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one?
The canonical SMILES for 1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one is CC(Oc1ccccc1C(F)(F)F)C(=O)N1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one?
The InChIKey is GSWSUXYOPGNPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO4/c1-12(25-14-5-3-2-4-13(14)17(18,19)20)15(22)21-7-9-24-16(10-21)6-8-23-11-16/h2-5,12H,6-11H2,1H3.
What are the key properties of 1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one?
1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one has a molecular weight of 359.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one is sourced from PubChem (CID 167920461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).