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

C21H15F3O2S — CID 139242346

IUPAC(4Z)-4-benzylidene-5-phenyl-2-thiophen-2-yl-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(c2cccs2)O/C(=C\c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C21H15F3O2S/c22-21(23,24)20(18-12-7-13-27-18)25-17(14-15-8-3-1-4-9-15)19(26-20)16-10-5-2-6-11-16/h1-14,19H/b17-14-
InChIKeyBAEWJUQALHIMEQ-VKAVYKQESA-N
MW388.41 g/mol
LogP6.29
Rot. Bonds3

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

(4Z)-4-benzylidene-5-phenyl-2-thiophen-2-yl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 139242346) has the molecular formula C21H15F3O2S and a molecular weight of 388.41 g/mol. Its IUPAC name is (4Z)-4-benzylidene-5-phenyl-2-thiophen-2-yl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4Z)-4-benzylidene-5-phenyl-2-thiophen-2-yl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID139242346
Molecular FormulaC21H15F3O2S
Molecular Weight388.41 g/mol
Exact Mass388.07
IUPAC Name(4Z)-4-benzylidene-5-phenyl-2-thiophen-2-yl-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(c2cccs2)O/C(=C\c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C21H15F3O2S/c22-21(23,24)20(18-12-7-13-27-18)25-17(14-15-8-3-1-4-9-15)19(26-20)16-10-5-2-6-11-16/h1-14,19H/b17-14-
InChIKeyBAEWJUQALHIMEQ-VKAVYKQESA-N
XLogP6.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.41
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-5-phenyl-2-thiophen-2-yl-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of (4Z)-4-benzylidene-5-phenyl-2-thiophen-2-yl-2-(trifluoromethyl)-1,3-dioxolane (CID 139242346) is (4Z)-4-benzylidene-5-phenyl-2-thiophen-2-yl-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for (4Z)-4-benzylidene-5-phenyl-2-thiophen-2-yl-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for (4Z)-4-benzylidene-5-phenyl-2-thiophen-2-yl-2-(trifluoromethyl)-1,3-dioxolane is FC(F)(F)C1(c2cccs2)O/C(=C\c2ccccc2)C(c2ccccc2)O1.
What is the InChIKey of (4Z)-4-benzylidene-5-phenyl-2-thiophen-2-yl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is BAEWJUQALHIMEQ-VKAVYKQESA-N. The full InChI is InChI=1S/C21H15F3O2S/c22-21(23,24)20(18-12-7-13-27-18)25-17(14-15-8-3-1-4-9-15)19(26-20)16-10-5-2-6-11-16/h1-14,19H/b17-14-.
What are the key properties of (4Z)-4-benzylidene-5-phenyl-2-thiophen-2-yl-2-(trifluoromethyl)-1,3-dioxolane?
(4Z)-4-benzylidene-5-phenyl-2-thiophen-2-yl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 388.41 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-5-phenyl-2-thiophen-2-yl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 139242346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).