2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane

C8H5F11O2 — CID 13464242

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane
SMILESFC(F)(F)C(C(F)(F)F)C1(C(F)(F)C(F)(F)F)OCCO1
InChIInChI=1S/C8H5F11O2/c9-5(10,11)3(6(12,13)14)4(20-1-2-21-4)7(15,16)8(17,18)19/h3H,1-2H2
InChIKeyZBKMMWFJQHROEC-UHFFFAOYSA-N
MW342.10 g/mol
LogP3.67
Rot. Bonds2

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane

2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane (PubChem CID 13464242) has the molecular formula C8H5F11O2 and a molecular weight of 342.10 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane
PubChem CID13464242
Molecular FormulaC8H5F11O2
Molecular Weight342.10 g/mol
Exact Mass342.01
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane
SMILESFC(F)(F)C(C(F)(F)F)C1(C(F)(F)C(F)(F)F)OCCO1
InChIInChI=1S/C8H5F11O2/c9-5(10,11)3(6(12,13)14)4(20-1-2-21-4)7(15,16)8(17,18)19/h3H,1-2H2
InChIKeyZBKMMWFJQHROEC-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.10
LogP ≤ 53.67
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-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane (CID 13464242) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane is FC(F)(F)C(C(F)(F)F)C1(C(F)(F)C(F)(F)F)OCCO1.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane?
The InChIKey is ZBKMMWFJQHROEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11O2/c9-5(10,11)3(6(12,13)14)4(20-1-2-21-4)7(15,16)8(17,18)19/h3H,1-2H2.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane?
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane has a molecular weight of 342.10 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane is sourced from PubChem (CID 13464242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).