2-(trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one

C10H11F3O2 — CID 15311287

IUPAC2-(trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one
SMILESO=C1C=C(C(F)(F)F)OC12CCCCC2
InChIInChI=1S/C10H11F3O2/c11-10(12,13)8-6-7(14)9(15-8)4-2-1-3-5-9/h6H,1-5H2
InChIKeyGJRLABKGBFSWPH-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.73
Rot. Bonds

About 2-(trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one

2-(trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one (PubChem CID 15311287) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one
PubChem CID15311287
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name2-(trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one
SMILESO=C1C=C(C(F)(F)F)OC12CCCCC2
InChIInChI=1S/C10H11F3O2/c11-10(12,13)8-6-7(14)9(15-8)4-2-1-3-5-9/h6H,1-5H2
InChIKeyGJRLABKGBFSWPH-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one
CID 616174
2-Methyl-1-oxaspiro[4.5]dec-2-en-4-one
CID 12671964
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648736
2,3-Dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 102652747
2,3-Dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 102652786
2,3-Dihydrofuran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanone
CID 102652806
(4,4-Difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652879
8,8-Difluoro-1-oxaspiro[4.5]dec-2-en-4-one
CID 165957269
2-Methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione
CID 24977518

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one?
The IUPAC name of 2-(trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one (CID 15311287) is 2-(trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one.
What is the SMILES notation for 2-(trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one?
The canonical SMILES for 2-(trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one is O=C1C=C(C(F)(F)F)OC12CCCCC2.
What is the InChIKey of 2-(trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one?
The InChIKey is GJRLABKGBFSWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c11-10(12,13)8-6-7(14)9(15-8)4-2-1-3-5-9/h6H,1-5H2.
What are the key properties of 2-(trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one?
2-(trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one has a molecular weight of 220.19 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one is sourced from PubChem (CID 15311287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).