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

C19H17F3O2 — CID 139242334

IUPAC(4Z)-4-benzylidene-5-ethyl-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCCC1OC(c2ccccc2)(C(F)(F)F)O/C1=C\c1ccccc1
InChIInChI=1S/C19H17F3O2/c1-2-16-17(13-14-9-5-3-6-10-14)24-18(23-16,19(20,21)22)15-11-7-4-8-12-15/h3-13,16H,2H2,1H3/b17-13-
InChIKeyPVVLPNLXGFVIIT-LGMDPLHJSA-N
MW334.34 g/mol
LogP5.27
Rot. Bonds3

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

(4Z)-4-benzylidene-5-ethyl-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 139242334) has the molecular formula C19H17F3O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is (4Z)-4-benzylidene-5-ethyl-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4Z)-4-benzylidene-5-ethyl-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID139242334
Molecular FormulaC19H17F3O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name(4Z)-4-benzylidene-5-ethyl-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCCC1OC(c2ccccc2)(C(F)(F)F)O/C1=C\c1ccccc1
InChIInChI=1S/C19H17F3O2/c1-2-16-17(13-14-9-5-3-6-10-14)24-18(23-16,19(20,21)22)15-11-7-4-8-12-15/h3-13,16H,2H2,1H3/b17-13-
InChIKeyPVVLPNLXGFVIIT-LGMDPLHJSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.34
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-5-ethyl-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of (4Z)-4-benzylidene-5-ethyl-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane (CID 139242334) is (4Z)-4-benzylidene-5-ethyl-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for (4Z)-4-benzylidene-5-ethyl-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for (4Z)-4-benzylidene-5-ethyl-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane is CCC1OC(c2ccccc2)(C(F)(F)F)O/C1=C\c1ccccc1.
What is the InChIKey of (4Z)-4-benzylidene-5-ethyl-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is PVVLPNLXGFVIIT-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H17F3O2/c1-2-16-17(13-14-9-5-3-6-10-14)24-18(23-16,19(20,21)22)15-11-7-4-8-12-15/h3-13,16H,2H2,1H3/b17-13-.
What are the key properties of (4Z)-4-benzylidene-5-ethyl-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
(4Z)-4-benzylidene-5-ethyl-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 334.34 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-5-ethyl-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 139242334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).