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

C24H19F3O2 — CID 139242336

IUPAC(4Z)-4-benzylidene-2-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCc1ccc(C2(C(F)(F)F)O/C(=C\c3ccccc3)C(c3ccccc3)O2)cc1
InChIInChI=1S/C24H19F3O2/c1-17-12-14-20(15-13-17)23(24(25,26)27)28-21(16-18-8-4-2-5-9-18)22(29-23)19-10-6-3-7-11-19/h2-16,22H,1H3/b21-16-
InChIKeyKYZQCJLIUPUWBT-PGMHBOJBSA-N
MW396.41 g/mol
LogP6.54
Rot. Bonds3

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

(4Z)-4-benzylidene-2-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 139242336) has the molecular formula C24H19F3O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is (4Z)-4-benzylidene-2-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4Z)-4-benzylidene-2-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID139242336
Molecular FormulaC24H19F3O2
Molecular Weight396.41 g/mol
Exact Mass396.13
IUPAC Name(4Z)-4-benzylidene-2-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCc1ccc(C2(C(F)(F)F)O/C(=C\c3ccccc3)C(c3ccccc3)O2)cc1
InChIInChI=1S/C24H19F3O2/c1-17-12-14-20(15-13-17)23(24(25,26)27)28-21(16-18-8-4-2-5-9-18)22(29-23)19-10-6-3-7-11-19/h2-16,22H,1H3/b21-16-
InChIKeyKYZQCJLIUPUWBT-PGMHBOJBSA-N
XLogP6.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.41
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-2-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of (4Z)-4-benzylidene-2-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane (CID 139242336) is (4Z)-4-benzylidene-2-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for (4Z)-4-benzylidene-2-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for (4Z)-4-benzylidene-2-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane is Cc1ccc(C2(C(F)(F)F)O/C(=C\c3ccccc3)C(c3ccccc3)O2)cc1.
What is the InChIKey of (4Z)-4-benzylidene-2-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is KYZQCJLIUPUWBT-PGMHBOJBSA-N. The full InChI is InChI=1S/C24H19F3O2/c1-17-12-14-20(15-13-17)23(24(25,26)27)28-21(16-18-8-4-2-5-9-18)22(29-23)19-10-6-3-7-11-19/h2-16,22H,1H3/b21-16-.
What are the key properties of (4Z)-4-benzylidene-2-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
(4Z)-4-benzylidene-2-(4-methylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 396.41 g/mol, XLogP of 6.54, 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-methylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 139242336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).