1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one

C11H15F3O2 — CID 66366798

IUPAC1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one
SMILESO=C1CC(OCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C11H15F3O2/c12-11(13,14)7-16-9-6-8(15)10(9)4-2-1-3-5-10/h9H,1-7H2
InChIKeyVRNZMUVHVPEYFN-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.86
Rot. Bonds2

About 1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one

1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one (PubChem CID 66366798) has the molecular formula C11H15F3O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one
PubChem CID66366798
Molecular FormulaC11H15F3O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one
SMILESO=C1CC(OCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C11H15F3O2/c12-11(13,14)7-16-9-6-8(15)10(9)4-2-1-3-5-10/h9H,1-7H2
InChIKeyVRNZMUVHVPEYFN-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-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-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one (CID 66366798) is 1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one is O=C1CC(OCC(F)(F)F)C12CCCCC2.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one?
The InChIKey is VRNZMUVHVPEYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O2/c12-11(13,14)7-16-9-6-8(15)10(9)4-2-1-3-5-10/h9H,1-7H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one?
1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one has a molecular weight of 236.23 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one is sourced from PubChem (CID 66366798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).