1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane

C7F13IO2 — CID 11730669

IUPAC1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane
SMILESFC(F)=C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)I)C(F)(F)F
InChIInChI=1S/C7F13IO2/c8-1(9)2(10)22-6(17,18)3(11,4(12,13)14)23-7(19,20)5(15,16)21
InChIKeyPFSYCLSGANQBFH-UHFFFAOYSA-N
MW489.95 g/mol
LogP5.50
Rot. Bonds6

About 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane

1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane (PubChem CID 11730669) has the molecular formula C7F13IO2 and a molecular weight of 489.95 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane
PubChem CID11730669
Molecular FormulaC7F13IO2
Molecular Weight489.95 g/mol
Exact Mass489.87
IUPAC Name1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane
SMILESFC(F)=C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)I)C(F)(F)F
InChIInChI=1S/C7F13IO2/c8-1(9)2(10)22-6(17,18)3(11,4(12,13)14)23-7(19,20)5(15,16)21
InChIKeyPFSYCLSGANQBFH-UHFFFAOYSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.95
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane 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 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane (CID 11730669) is 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane is FC(F)=C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)I)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane?
The InChIKey is PFSYCLSGANQBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F13IO2/c8-1(9)2(10)22-6(17,18)3(11,4(12,13)14)23-7(19,20)5(15,16)21.
What are the key properties of 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane?
1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane has a molecular weight of 489.95 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane is sourced from PubChem (CID 11730669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).