1,1,2,2,3-pentafluoro-1,3,3-tris(1,1,2,2,2-pentafluoroethoxy)propane

C9F20O3 — CID 15034858

IUPAC1,1,2,2,3-pentafluoro-1,3,3-tris(1,1,2,2,2-pentafluoroethoxy)propane
SMILESFC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C9F20O3/c10-1(11,5(21,22)30-6(23,24)2(12,13)14)9(29,31-7(25,26)3(15,16)17)32-8(27,28)4(18,19)20
InChIKeyAMHOKIZOZNVGMB-UHFFFAOYSA-N
MW536.06 g/mol
LogP6.35
Rot. Bonds8

About 1,1,2,2,3-pentafluoro-1,3,3-tris(1,1,2,2,2-pentafluoroethoxy)propane

1,1,2,2,3-pentafluoro-1,3,3-tris(1,1,2,2,2-pentafluoroethoxy)propane (PubChem CID 15034858) has the molecular formula C9F20O3 and a molecular weight of 536.06 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoro-1,3,3-tris(1,1,2,2,2-pentafluoroethoxy)propane.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoro-1,3,3-tris(1,1,2,2,2-pentafluoroethoxy)propane
PubChem CID15034858
Molecular FormulaC9F20O3
Molecular Weight536.06 g/mol
Exact Mass535.95
IUPAC Name1,1,2,2,3-pentafluoro-1,3,3-tris(1,1,2,2,2-pentafluoroethoxy)propane
SMILESFC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C9F20O3/c10-1(11,5(21,22)30-6(23,24)2(12,13)14)9(29,31-7(25,26)3(15,16)17)32-8(27,28)4(18,19)20
InChIKeyAMHOKIZOZNVGMB-UHFFFAOYSA-N
XLogP6.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.06
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,1,2,2,3-pentafluoro-1,3,3-tris(1,1,2,2,2-pentafluoroethoxy)propane?
The IUPAC name of 1,1,2,2,3-pentafluoro-1,3,3-tris(1,1,2,2,2-pentafluoroethoxy)propane (CID 15034858) is 1,1,2,2,3-pentafluoro-1,3,3-tris(1,1,2,2,2-pentafluoroethoxy)propane.
What is the SMILES notation for 1,1,2,2,3-pentafluoro-1,3,3-tris(1,1,2,2,2-pentafluoroethoxy)propane?
The canonical SMILES for 1,1,2,2,3-pentafluoro-1,3,3-tris(1,1,2,2,2-pentafluoroethoxy)propane is FC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3-pentafluoro-1,3,3-tris(1,1,2,2,2-pentafluoroethoxy)propane?
The InChIKey is AMHOKIZOZNVGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F20O3/c10-1(11,5(21,22)30-6(23,24)2(12,13)14)9(29,31-7(25,26)3(15,16)17)32-8(27,28)4(18,19)20.
What are the key properties of 1,1,2,2,3-pentafluoro-1,3,3-tris(1,1,2,2,2-pentafluoroethoxy)propane?
1,1,2,2,3-pentafluoro-1,3,3-tris(1,1,2,2,2-pentafluoroethoxy)propane has a molecular weight of 536.06 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3-pentafluoro-1,3,3-tris(1,1,2,2,2-pentafluoroethoxy)propane is sourced from PubChem (CID 15034858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).