(4Z)-4-benzylidene-2-phenyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-dioxolane

C24H16F6O2 — CID 139242328

IUPAC(4Z)-4-benzylidene-2-phenyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-dioxolane
SMILESFC(F)(F)c1ccc(C2OC(c3ccccc3)(C(F)(F)F)O/C2=C\c2ccccc2)cc1
InChIInChI=1S/C24H16F6O2/c25-23(26,27)19-13-11-17(12-14-19)21-20(15-16-7-3-1-4-8-16)31-22(32-21,24(28,29)30)18-9-5-2-6-10-18/h1-15,21H/b20-15-
InChIKeyWXLFVTXMCUXTPX-HKWRFOASSA-N
MW450.38 g/mol
LogP7.25
Rot. Bonds3

About (4Z)-4-benzylidene-2-phenyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-dioxolane

(4Z)-4-benzylidene-2-phenyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-dioxolane (PubChem CID 139242328) has the molecular formula C24H16F6O2 and a molecular weight of 450.38 g/mol. Its IUPAC name is (4Z)-4-benzylidene-2-phenyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4Z)-4-benzylidene-2-phenyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-dioxolane
PubChem CID139242328
Molecular FormulaC24H16F6O2
Molecular Weight450.38 g/mol
Exact Mass450.11
IUPAC Name(4Z)-4-benzylidene-2-phenyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-dioxolane
SMILESFC(F)(F)c1ccc(C2OC(c3ccccc3)(C(F)(F)F)O/C2=C\c2ccccc2)cc1
InChIInChI=1S/C24H16F6O2/c25-23(26,27)19-13-11-17(12-14-19)21-20(15-16-7-3-1-4-8-16)31-22(32-21,24(28,29)30)18-9-5-2-6-10-18/h1-15,21H/b20-15-
InChIKeyWXLFVTXMCUXTPX-HKWRFOASSA-N
XLogP7.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.38
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[3-(Trifluoromethyl)phenyl]phenyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72206181
2,2-Bis(4-methylphenyl)-1,3-dioxolane
CID 53996432
8-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane
CID 10183920
(8R,9R)-9-(4-methylphenyl)-8-[1-(4-methylphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 71527113
(8R,9R)-9-(4-fluorophenyl)-8-[1-(4-fluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 71527230
(3R,4R)-4-(4-methylphenyl)-3-[1-(4-methylphenyl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane
CID 71527233
(3R,4R)-4-(4-fluorophenyl)-3-[1-(4-fluorophenyl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane
CID 71527235
5-[5,5-Bis(4-fluorophenyl)pentoxy]-2-phenyl-1,3-dioxane
CID 162668814
3,4-Bis[(4-fluorophenyl)selanyl]-2-(4-methylphenyl)-2,5-dihydrofuran
CID 154713145
cis-2,2-Dimethyl-4,5-diphenyl-1,3-dioxolane
CID 15262695
2-[1,1'-Biphenyl]-4-yl-2-vinyl-1,3-dioxolane
CID 383347
2,2-Diphenyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-dioxane
CID 10312177

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-2-phenyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-dioxolane?
The IUPAC name of (4Z)-4-benzylidene-2-phenyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-dioxolane (CID 139242328) is (4Z)-4-benzylidene-2-phenyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for (4Z)-4-benzylidene-2-phenyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-dioxolane?
The canonical SMILES for (4Z)-4-benzylidene-2-phenyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-dioxolane is FC(F)(F)c1ccc(C2OC(c3ccccc3)(C(F)(F)F)O/C2=C\c2ccccc2)cc1.
What is the InChIKey of (4Z)-4-benzylidene-2-phenyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-dioxolane?
The InChIKey is WXLFVTXMCUXTPX-HKWRFOASSA-N. The full InChI is InChI=1S/C24H16F6O2/c25-23(26,27)19-13-11-17(12-14-19)21-20(15-16-7-3-1-4-8-16)31-22(32-21,24(28,29)30)18-9-5-2-6-10-18/h1-15,21H/b20-15-.
What are the key properties of (4Z)-4-benzylidene-2-phenyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-dioxolane?
(4Z)-4-benzylidene-2-phenyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-dioxolane has a molecular weight of 450.38 g/mol, XLogP of 7.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-2-phenyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 139242328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).