1,1,1,2,2,3-hexafluoro-3,3-bis(1,1,2,2,2-pentafluoroethoxy)propane

C7F16O2 — CID 15034859

IUPAC1,1,1,2,2,3-hexafluoro-3,3-bis(1,1,2,2,2-pentafluoroethoxy)propane
SMILESFC(F)(F)C(F)(F)OC(F)(OC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F16O2/c8-1(9,2(10,11)12)7(23,24-5(19,20)3(13,14)15)25-6(21,22)4(16,17)18
InChIKeyGEZOZTAXSFNENU-UHFFFAOYSA-N
MW420.04 g/mol
LogP5.15
Rot. Bonds5

About 1,1,1,2,2,3-hexafluoro-3,3-bis(1,1,2,2,2-pentafluoroethoxy)propane

1,1,1,2,2,3-hexafluoro-3,3-bis(1,1,2,2,2-pentafluoroethoxy)propane (PubChem CID 15034859) has the molecular formula C7F16O2 and a molecular weight of 420.04 g/mol. Its IUPAC name is 1,1,1,2,2,3-hexafluoro-3,3-bis(1,1,2,2,2-pentafluoroethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,2,3-hexafluoro-3,3-bis(1,1,2,2,2-pentafluoroethoxy)propane
PubChem CID15034859
Molecular FormulaC7F16O2
Molecular Weight420.04 g/mol
Exact Mass419.96
IUPAC Name1,1,1,2,2,3-hexafluoro-3,3-bis(1,1,2,2,2-pentafluoroethoxy)propane
SMILESFC(F)(F)C(F)(F)OC(F)(OC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F16O2/c8-1(9,2(10,11)12)7(23,24-5(19,20)3(13,14)15)25-6(21,22)4(16,17)18
InChIKeyGEZOZTAXSFNENU-UHFFFAOYSA-N
XLogP5.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.04
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3-hexafluoro-3,3-bis(1,1,2,2,2-pentafluoroethoxy)propane?
The IUPAC name of 1,1,1,2,2,3-hexafluoro-3,3-bis(1,1,2,2,2-pentafluoroethoxy)propane (CID 15034859) is 1,1,1,2,2,3-hexafluoro-3,3-bis(1,1,2,2,2-pentafluoroethoxy)propane.
What is the SMILES notation for 1,1,1,2,2,3-hexafluoro-3,3-bis(1,1,2,2,2-pentafluoroethoxy)propane?
The canonical SMILES for 1,1,1,2,2,3-hexafluoro-3,3-bis(1,1,2,2,2-pentafluoroethoxy)propane is FC(F)(F)C(F)(F)OC(F)(OC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3-hexafluoro-3,3-bis(1,1,2,2,2-pentafluoroethoxy)propane?
The InChIKey is GEZOZTAXSFNENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F16O2/c8-1(9,2(10,11)12)7(23,24-5(19,20)3(13,14)15)25-6(21,22)4(16,17)18.
What are the key properties of 1,1,1,2,2,3-hexafluoro-3,3-bis(1,1,2,2,2-pentafluoroethoxy)propane?
1,1,1,2,2,3-hexafluoro-3,3-bis(1,1,2,2,2-pentafluoroethoxy)propane has a molecular weight of 420.04 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3-hexafluoro-3,3-bis(1,1,2,2,2-pentafluoroethoxy)propane is sourced from PubChem (CID 15034859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).