(4Z)-4-pentylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane

C21H21F3O2 — CID 139242331

IUPAC(4Z)-4-pentylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCCCC/C=C1\OC(c2ccccc2)(C(F)(F)F)OC1c1ccccc1
InChIInChI=1S/C21H21F3O2/c1-2-3-6-15-18-19(16-11-7-4-8-12-16)26-20(25-18,21(22,23)24)17-13-9-5-10-14-17/h4-5,7-15,19H,2-3,6H2,1H3/b18-15-
InChIKeyGFTAZQPTVRSTST-SDXDJHTJSA-N
MW362.39 g/mol
LogP6.26
Rot. Bonds5

About (4Z)-4-pentylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane

(4Z)-4-pentylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 139242331) has the molecular formula C21H21F3O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is (4Z)-4-pentylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4Z)-4-pentylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID139242331
Molecular FormulaC21H21F3O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name(4Z)-4-pentylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCCCC/C=C1\OC(c2ccccc2)(C(F)(F)F)OC1c1ccccc1
InChIInChI=1S/C21H21F3O2/c1-2-3-6-15-18-19(16-11-7-4-8-12-16)26-20(25-18,21(22,23)24)17-13-9-5-10-14-17/h4-5,7-15,19H,2-3,6H2,1H3/b18-15-
InChIKeyGFTAZQPTVRSTST-SDXDJHTJSA-N
XLogP6.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-pentylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of (4Z)-4-pentylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane (CID 139242331) is (4Z)-4-pentylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for (4Z)-4-pentylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for (4Z)-4-pentylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane is CCCC/C=C1\OC(c2ccccc2)(C(F)(F)F)OC1c1ccccc1.
What is the InChIKey of (4Z)-4-pentylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is GFTAZQPTVRSTST-SDXDJHTJSA-N. The full InChI is InChI=1S/C21H21F3O2/c1-2-3-6-15-18-19(16-11-7-4-8-12-16)26-20(25-18,21(22,23)24)17-13-9-5-10-14-17/h4-5,7-15,19H,2-3,6H2,1H3/b18-15-.
What are the key properties of (4Z)-4-pentylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane?
(4Z)-4-pentylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 362.39 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-pentylidene-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 139242331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).