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

C23H16BrF3O2 — CID 139242345

IUPAC(4Z)-4-benzylidene-2-(4-bromophenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(c2ccc(Br)cc2)O/C(=C\c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C23H16BrF3O2/c24-19-13-11-18(12-14-19)22(23(25,26)27)28-20(15-16-7-3-1-4-8-16)21(29-22)17-9-5-2-6-10-17/h1-15,21H/b20-15-
InChIKeyTVLOUEWGAYRXFR-HKWRFOASSA-N
MW461.28 g/mol
LogP6.99
Rot. Bonds3

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

(4Z)-4-benzylidene-2-(4-bromophenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 139242345) has the molecular formula C23H16BrF3O2 and a molecular weight of 461.28 g/mol. Its IUPAC name is (4Z)-4-benzylidene-2-(4-bromophenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4Z)-4-benzylidene-2-(4-bromophenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID139242345
Molecular FormulaC23H16BrF3O2
Molecular Weight461.28 g/mol
Exact Mass460.03
IUPAC Name(4Z)-4-benzylidene-2-(4-bromophenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(c2ccc(Br)cc2)O/C(=C\c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C23H16BrF3O2/c24-19-13-11-18(12-14-19)22(23(25,26)27)28-20(15-16-7-3-1-4-8-16)21(29-22)17-9-5-2-6-10-17/h1-15,21H/b20-15-
InChIKeyTVLOUEWGAYRXFR-HKWRFOASSA-N
XLogP6.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.28
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)-2-methyl-1,3-dioxolane
CID 614920
(8R,9R)-9-(4-bromophenyl)-8-[1-(4-bromophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 71527114
(3R,4R)-4-(4-bromophenyl)-3-[1-(4-bromophenyl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane
CID 71527234
2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane
CID 54611351
(3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran
CID 135022521
(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-pentylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane
CID 139242331
(4Z)-4-(2,2-dimethylpropylidene)-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane
CID 139242332
(4Z)-4-benzylidene-5-ethyl-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane
CID 139242334
(4Z)-4-benzylidene-2-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane
CID 139242336

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-2-(4-bromophenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of (4Z)-4-benzylidene-2-(4-bromophenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane (CID 139242345) is (4Z)-4-benzylidene-2-(4-bromophenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for (4Z)-4-benzylidene-2-(4-bromophenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for (4Z)-4-benzylidene-2-(4-bromophenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane is FC(F)(F)C1(c2ccc(Br)cc2)O/C(=C\c2ccccc2)C(c2ccccc2)O1.
What is the InChIKey of (4Z)-4-benzylidene-2-(4-bromophenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is TVLOUEWGAYRXFR-HKWRFOASSA-N. The full InChI is InChI=1S/C23H16BrF3O2/c24-19-13-11-18(12-14-19)22(23(25,26)27)28-20(15-16-7-3-1-4-8-16)21(29-22)17-9-5-2-6-10-17/h1-15,21H/b20-15-.
What are the key properties of (4Z)-4-benzylidene-2-(4-bromophenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
(4Z)-4-benzylidene-2-(4-bromophenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 461.28 g/mol, XLogP of 6.99, 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-(4-bromophenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 139242345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).