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

C21H21F3O2 — CID 139242332

IUPAC(4Z)-4-(2,2-dimethylpropylidene)-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCC(C)(C)/C=C1\OC(c2ccccc2)(C(F)(F)F)OC1c1ccccc1
InChIInChI=1S/C21H21F3O2/c1-19(2,3)14-17-18(15-10-6-4-7-11-15)26-20(25-17,21(22,23)24)16-12-8-5-9-13-16/h4-14,18H,1-3H3/b17-14-
InChIKeyINOATIJLQHVLBI-VKAVYKQESA-N
MW362.39 g/mol
LogP6.12
Rot. Bonds2

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

(4Z)-4-(2,2-dimethylpropylidene)-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 139242332) has the molecular formula C21H21F3O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is (4Z)-4-(2,2-dimethylpropylidene)-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4Z)-4-(2,2-dimethylpropylidene)-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID139242332
Molecular FormulaC21H21F3O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name(4Z)-4-(2,2-dimethylpropylidene)-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCC(C)(C)/C=C1\OC(c2ccccc2)(C(F)(F)F)OC1c1ccccc1
InChIInChI=1S/C21H21F3O2/c1-19(2,3)14-17-18(15-10-6-4-7-11-15)26-20(25-17,21(22,23)24)16-12-8-5-9-13-16/h4-14,18H,1-3H3/b17-14-
InChIKeyINOATIJLQHVLBI-VKAVYKQESA-N
XLogP6.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(2,2-dimethylpropylidene)-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of (4Z)-4-(2,2-dimethylpropylidene)-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane (CID 139242332) is (4Z)-4-(2,2-dimethylpropylidene)-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for (4Z)-4-(2,2-dimethylpropylidene)-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for (4Z)-4-(2,2-dimethylpropylidene)-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane is CC(C)(C)/C=C1\OC(c2ccccc2)(C(F)(F)F)OC1c1ccccc1.
What is the InChIKey of (4Z)-4-(2,2-dimethylpropylidene)-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is INOATIJLQHVLBI-VKAVYKQESA-N. The full InChI is InChI=1S/C21H21F3O2/c1-19(2,3)14-17-18(15-10-6-4-7-11-15)26-20(25-17,21(22,23)24)16-12-8-5-9-13-16/h4-14,18H,1-3H3/b17-14-.
What are the key properties of (4Z)-4-(2,2-dimethylpropylidene)-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane?
(4Z)-4-(2,2-dimethylpropylidene)-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 362.39 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(2,2-dimethylpropylidene)-2,5-diphenyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 139242332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).