8-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl]-8-phenyl-1,4-dioxaspiro[4.5]decane

C25H24F6O2 — CID 22293462

IUPAC8-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl]-8-phenyl-1,4-dioxaspiro[4.5]decane
SMILESFC(F)(F)c1cc(C/C=C/C2(c3ccccc3)CCC3(CC2)OCCO3)cc(C(F)(F)F)c1
InChIInChI=1S/C25H24F6O2/c26-24(27,28)20-15-18(16-21(17-20)25(29,30)31)5-4-8-22(19-6-2-1-3-7-19)9-11-23(12-10-22)32-13-14-33-23/h1-4,6-8,15-17H,5,9-14H2/b8-4+
InChIKeyRFXDWLHIQXWVNC-XBXARRHUSA-N
MW470.45 g/mol
LogP7.08
Rot. Bonds4

About 8-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl]-8-phenyl-1,4-dioxaspiro[4.5]decane

8-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl]-8-phenyl-1,4-dioxaspiro[4.5]decane (PubChem CID 22293462) has the molecular formula C25H24F6O2 and a molecular weight of 470.45 g/mol. Its IUPAC name is 8-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl]-8-phenyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl]-8-phenyl-1,4-dioxaspiro[4.5]decane
PubChem CID22293462
Molecular FormulaC25H24F6O2
Molecular Weight470.45 g/mol
Exact Mass470.17
IUPAC Name8-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl]-8-phenyl-1,4-dioxaspiro[4.5]decane
SMILESFC(F)(F)c1cc(C/C=C/C2(c3ccccc3)CCC3(CC2)OCCO3)cc(C(F)(F)F)c1
InChIInChI=1S/C25H24F6O2/c26-24(27,28)20-15-18(16-21(17-20)25(29,30)31)5-4-8-22(19-6-2-1-3-7-19)9-11-23(12-10-22)32-13-14-33-23/h1-4,6-8,15-17H,5,9-14H2/b8-4+
InChIKeyRFXDWLHIQXWVNC-XBXARRHUSA-N
XLogP7.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.45
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl]-8-phenyl-1,4-dioxaspiro[4.5]decane 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 8-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl]-8-phenyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl]-8-phenyl-1,4-dioxaspiro[4.5]decane (CID 22293462) is 8-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl]-8-phenyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl]-8-phenyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl]-8-phenyl-1,4-dioxaspiro[4.5]decane is FC(F)(F)c1cc(C/C=C/C2(c3ccccc3)CCC3(CC2)OCCO3)cc(C(F)(F)F)c1.
What is the InChIKey of 8-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl]-8-phenyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is RFXDWLHIQXWVNC-XBXARRHUSA-N. The full InChI is InChI=1S/C25H24F6O2/c26-24(27,28)20-15-18(16-21(17-20)25(29,30)31)5-4-8-22(19-6-2-1-3-7-19)9-11-23(12-10-22)32-13-14-33-23/h1-4,6-8,15-17H,5,9-14H2/b8-4+.
What are the key properties of 8-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl]-8-phenyl-1,4-dioxaspiro[4.5]decane?
8-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl]-8-phenyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 470.45 g/mol, XLogP of 7.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl]-8-phenyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 22293462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).