8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene

C9H11F3O2 — CID 90858366

IUPAC8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESFC(F)(F)C1=CCC2(CC1)OCCO2
InChIInChI=1S/C9H11F3O2/c10-9(11,12)7-1-3-8(4-2-7)13-5-6-14-8/h1H,2-6H2
InChIKeyZQYHGHQUYXFOCO-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.40
Rot. Bonds

About 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene

8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 90858366) has the molecular formula C9H11F3O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID90858366
Molecular FormulaC9H11F3O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESFC(F)(F)C1=CCC2(CC1)OCCO2
InChIInChI=1S/C9H11F3O2/c10-9(11,12)7-1-3-8(4-2-7)13-5-6-14-8/h1H,2-6H2
InChIKeyZQYHGHQUYXFOCO-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene (CID 90858366) is 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene is FC(F)(F)C1=CCC2(CC1)OCCO2.
What is the InChIKey of 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is ZQYHGHQUYXFOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O2/c10-9(11,12)7-1-3-8(4-2-7)13-5-6-14-8/h1H,2-6H2.
What are the key properties of 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene?
8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 208.18 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 90858366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).