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

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Related Compounds

1-[4,4-Difluoro-1-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one
CID 89692026
2-(5,5-Difluorooxan-2-yl)-2,4-dimethylpentan-3-one
CID 89692476
1-[4,4-Difluoro-1-(methoxymethyl)cyclohexyl]ethanone
CID 89694458
3-(5,5-Difluorooxan-2-yl)-3-methylbutan-2-one
CID 89694475
2-(5,5-Difluorooxan-2-yl)-2-methylpentan-3-one
CID 130457263
2-(5,5-Difluorooxan-2-yl)-2,4-dimethylhexan-3-one
CID 130457264
2,2,2-Trifluoro-1-[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone
CID 141123056
1-(Trifluoromethoxy)spiro[4.5]decan-4-one
CID 152640569
1-[4,4-Difluoro-1-(methoxymethyl)cyclohexyl]propan-1-one
CID 163793234
Ethyl 2,2-difluoro-7-oxospiro[3.5]nonane-8-carboxylate
CID 178661906
3-Ethoxyspiro[3.5]nonan-1-one
CID 54595141
(1-Acetylcyclohexyl)methyl 2,2,2-trifluoroacetate
CID 10332428

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).