4,5-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxole

C6F10O2 — CID 14716215

IUPAC4,5-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxole
SMILESFC1=C(F)OC(C(F)(F)F)(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C6F10O2/c7-1-2(8)18-4(17-1,6(14,15)16)3(9,10)5(11,12)13
InChIKeyGLTQSUDHSNOUJX-UHFFFAOYSA-N
MW294.04 g/mol
LogP3.56
Rot. Bonds1

About 4,5-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxole

4,5-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxole (PubChem CID 14716215) has the molecular formula C6F10O2 and a molecular weight of 294.04 g/mol. Its IUPAC name is 4,5-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name4,5-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxole
PubChem CID14716215
Molecular FormulaC6F10O2
Molecular Weight294.04 g/mol
Exact Mass293.97
IUPAC Name4,5-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxole
SMILESFC1=C(F)OC(C(F)(F)F)(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C6F10O2/c7-1-2(8)18-4(17-1,6(14,15)16)3(9,10)5(11,12)13
InChIKeyGLTQSUDHSNOUJX-UHFFFAOYSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 4,5-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxole (CID 14716215) is 4,5-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 4,5-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 4,5-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxole is FC1=C(F)OC(C(F)(F)F)(C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 4,5-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxole?
The InChIKey is GLTQSUDHSNOUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10O2/c7-1-2(8)18-4(17-1,6(14,15)16)3(9,10)5(11,12)13.
What are the key properties of 4,5-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxole?
4,5-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxole has a molecular weight of 294.04 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 14716215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).