2,2-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane

C8H8F8O2 — CID 91740244

IUPAC2,2-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane
SMILESCC1(C)OC(C(F)(F)F)C(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C8H8F8O2/c1-5(2)17-3(4(18-5)7(11,12)13)6(9,10)8(14,15)16/h3-4H,1-2H3
InChIKeyXQBBYHAUGYVDJK-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.27
Rot. Bonds1

About 2,2-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane

2,2-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane (PubChem CID 91740244) has the molecular formula C8H8F8O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 2,2-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane
PubChem CID91740244
Molecular FormulaC8H8F8O2
Molecular Weight288.13 g/mol
Exact Mass288.04
IUPAC Name2,2-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane
SMILESCC1(C)OC(C(F)(F)F)C(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C8H8F8O2/c1-5(2)17-3(4(18-5)7(11,12)13)6(9,10)8(14,15)16/h3-4H,1-2H3
InChIKeyXQBBYHAUGYVDJK-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane (CID 91740244) is 2,2-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane is CC1(C)OC(C(F)(F)F)C(C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 2,2-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is XQBBYHAUGYVDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F8O2/c1-5(2)17-3(4(18-5)7(11,12)13)6(9,10)8(14,15)16/h3-4H,1-2H3.
What are the key properties of 2,2-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane?
2,2-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 288.13 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 91740244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).