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

C24H24F6O3 — CID 10183920

IUPAC8-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCC3(CC2)OCCO3)cc(C(F)(F)F)c1
InChIInChI=1S/C24H24F6O3/c25-23(26,27)19-12-17(13-20(14-19)24(28,29)30)15-31-16-21(18-4-2-1-3-5-18)6-8-22(9-7-21)32-10-11-33-22/h1-5,12-14H,6-11,15-16H2
InChIKeyJZWRJFCMLPHFOM-UHFFFAOYSA-N
MW474.44 g/mol
LogP6.50
Rot. Bonds5

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

8-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane (PubChem CID 10183920) has the molecular formula C24H24F6O3 and a molecular weight of 474.44 g/mol. Its IUPAC name is 8-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane
PubChem CID10183920
Molecular FormulaC24H24F6O3
Molecular Weight474.44 g/mol
Exact Mass474.16
IUPAC Name8-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCC3(CC2)OCCO3)cc(C(F)(F)F)c1
InChIInChI=1S/C24H24F6O3/c25-23(26,27)19-12-17(13-20(14-19)24(28,29)30)15-31-16-21(18-4-2-1-3-5-18)6-8-22(9-7-21)32-10-11-33-22/h1-5,12-14H,6-11,15-16H2
InChIKeyJZWRJFCMLPHFOM-UHFFFAOYSA-N
XLogP6.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.44
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane with MolForge

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Related Compounds

1-[(1-Phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 71583093
2-[3-(1,1,2,2,2-Pentafluoroethyl)phenyl]-2-phenyl-1,3-dioxolane
CID 102578523
(4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane
CID 134839441
(4S)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane
CID 134961370
(4S)-4-[(1S)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane
CID 134961371
(4Z)-4-benzylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane
CID 139242322
(4Z)-4-benzylidene-5-(4-fluorophenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane
CID 139242327
(4Z)-4-benzylidene-2-phenyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 139242328
(4Z)-4-benzylidene-5-tert-butyl-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane
CID 139242335
(4Z)-4-benzylidene-2-(4-tert-butylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane
CID 139242337
(4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane
CID 139242341
(4Z)-4-benzylidene-2-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane
CID 139242343

Frequently Asked Questions

What is the IUPAC name of 8-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane (CID 10183920) is 8-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane is FC(F)(F)c1cc(COCC2(c3ccccc3)CCC3(CC2)OCCO3)cc(C(F)(F)F)c1.
What is the InChIKey of 8-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is JZWRJFCMLPHFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F6O3/c25-23(26,27)19-12-17(13-20(14-19)24(28,29)30)15-31-16-21(18-4-2-1-3-5-18)6-8-22(9-7-21)32-10-11-33-22/h1-5,12-14H,6-11,15-16H2.
What are the key properties of 8-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane?
8-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 474.44 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 10183920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).