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

C23H16F4O2 — CID 139242327

IUPAC(4Z)-4-benzylidene-5-(4-fluorophenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESFc1ccc(C2OC(c3ccccc3)(C(F)(F)F)O/C2=C\c2ccccc2)cc1
InChIInChI=1S/C23H16F4O2/c24-19-13-11-17(12-14-19)21-20(15-16-7-3-1-4-8-16)28-22(29-21,23(25,26)27)18-9-5-2-6-10-18/h1-15,21H/b20-15-
InChIKeyFJTLNAUZJDMLHF-HKWRFOASSA-N
MW400.37 g/mol
LogP6.37
Rot. Bonds3

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

(4Z)-4-benzylidene-5-(4-fluorophenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 139242327) has the molecular formula C23H16F4O2 and a molecular weight of 400.37 g/mol. Its IUPAC name is (4Z)-4-benzylidene-5-(4-fluorophenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4Z)-4-benzylidene-5-(4-fluorophenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID139242327
Molecular FormulaC23H16F4O2
Molecular Weight400.37 g/mol
Exact Mass400.11
IUPAC Name(4Z)-4-benzylidene-5-(4-fluorophenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESFc1ccc(C2OC(c3ccccc3)(C(F)(F)F)O/C2=C\c2ccccc2)cc1
InChIInChI=1S/C23H16F4O2/c24-19-13-11-17(12-14-19)21-20(15-16-7-3-1-4-8-16)28-22(29-21,23(25,26)27)18-9-5-2-6-10-18/h1-15,21H/b20-15-
InChIKeyFJTLNAUZJDMLHF-HKWRFOASSA-N
XLogP6.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.37
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dioxaspiro[4.5]decane, 2-phenyl-
CID 97830
2,2-Diphenyldioxolane
CID 283230
(4R)-4-(2,2-difluoro-1-phenylmethoxybut-3-enyl)-2,2-dimethyl-1,3-dioxolane
CID 12115894
8-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane
CID 10183920
1,3-Dioxolane, 4-phenyl-2-(phenylmethyl)-
CID 97838
(8R,9R)-9-(4-fluorophenyl)-8-[1-(4-fluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 71527230
(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-phenyl-2,5-dihydrofuran
CID 122400634
2-Phenyl-3,4-bis[[3-(trifluoromethyl)phenyl]selanyl]-2,5-dihydrofuran
CID 154713143
2-(2-Fluorophenyl)-2-methyl-1,3-dioxolane
CID 11252353
(4R)-4-[(1R)-2,2-difluoro-1-phenylmethoxybut-3-enyl]-2,2-dimethyl-1,3-dioxolane
CID 11277924

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-5-(4-fluorophenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of (4Z)-4-benzylidene-5-(4-fluorophenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane (CID 139242327) is (4Z)-4-benzylidene-5-(4-fluorophenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for (4Z)-4-benzylidene-5-(4-fluorophenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for (4Z)-4-benzylidene-5-(4-fluorophenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane is Fc1ccc(C2OC(c3ccccc3)(C(F)(F)F)O/C2=C\c2ccccc2)cc1.
What is the InChIKey of (4Z)-4-benzylidene-5-(4-fluorophenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is FJTLNAUZJDMLHF-HKWRFOASSA-N. The full InChI is InChI=1S/C23H16F4O2/c24-19-13-11-17(12-14-19)21-20(15-16-7-3-1-4-8-16)28-22(29-21,23(25,26)27)18-9-5-2-6-10-18/h1-15,21H/b20-15-.
What are the key properties of (4Z)-4-benzylidene-5-(4-fluorophenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
(4Z)-4-benzylidene-5-(4-fluorophenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 400.37 g/mol, XLogP of 6.37, 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-(4-fluorophenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 139242327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).