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

C12H17F3O2 — CID 66367274

IUPAC1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-3-one
SMILESCC(OC1CC(=O)C12CCCCC2)C(F)(F)F
InChIInChI=1S/C12H17F3O2/c1-8(12(13,14)15)17-10-7-9(16)11(10)5-3-2-4-6-11/h8,10H,2-7H2,1H3
InChIKeyPHKVJFNWRRTKFT-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.25
Rot. Bonds2

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

1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-3-one (PubChem CID 66367274) has the molecular formula C12H17F3O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-3-one.

Molecular Properties

Compound Name1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-3-one
PubChem CID66367274
Molecular FormulaC12H17F3O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-3-one
SMILESCC(OC1CC(=O)C12CCCCC2)C(F)(F)F
InChIInChI=1S/C12H17F3O2/c1-8(12(13,14)15)17-10-7-9(16)11(10)5-3-2-4-6-11/h8,10H,2-7H2,1H3
InChIKeyPHKVJFNWRRTKFT-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1,1,1-trifluoropropan-2-yloxy)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

Related Compounds

3-Ethoxyspiro[3.6]decan-1-one
CID 21919562
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
1,1-Difluoro-3-methyl-1-(oxan-2-yl)butan-2-one
CID 89692590
1-[4,4-Difluoro-1-(methoxymethyl)cyclohexyl]ethanone
CID 89694458
3-(5,5-Difluorooxan-2-yl)-3-methylbutan-2-one
CID 89694475
2-(1,1,1-Trifluoro-4-methylpentan-2-yl)oxan-4-one
CID 123421370
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
1-[4,4-Difluoro-1-(methoxymethyl)cyclohexyl]propan-1-one
CID 163793234
Ethyl 1-acetyl-4,4-difluorocyclohexane-1-carboxylate
CID 166454728
1-[(1R,2R)-3-fluoro-2-(2-fluoroethoxy)cyclohexyl]ethanone
CID 166823924

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-3-one?
The IUPAC name of 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-3-one (CID 66367274) is 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-3-one.
What is the SMILES notation for 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-3-one?
The canonical SMILES for 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-3-one is CC(OC1CC(=O)C12CCCCC2)C(F)(F)F.
What is the InChIKey of 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-3-one?
The InChIKey is PHKVJFNWRRTKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3O2/c1-8(12(13,14)15)17-10-7-9(16)11(10)5-3-2-4-6-11/h8,10H,2-7H2,1H3.
What are the key properties of 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-3-one?
1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-3-one has a molecular weight of 250.26 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-3-one is sourced from PubChem (CID 66367274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).