1,1,1,2,2-pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane

C9F20O4 — CID 14338975

IUPAC1,1,1,2,2-pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane
SMILESFC(F)(F)C(F)(F)OC(OC(F)(F)C(F)(F)F)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C9F20O4/c10-1(11,12)5(22,23)30-9(31-6(24,25)2(13,14)15,32-7(26,27)3(16,17)18)33-8(28,29)4(19,20)21
InChIKeyADEPVNLCNUZGLV-UHFFFAOYSA-N
MW552.06 g/mol
LogP6.28
Rot. Bonds8

About 1,1,1,2,2-pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane

1,1,1,2,2-pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane (PubChem CID 14338975) has the molecular formula C9F20O4 and a molecular weight of 552.06 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane
PubChem CID14338975
Molecular FormulaC9F20O4
Molecular Weight552.06 g/mol
Exact Mass551.95
IUPAC Name1,1,1,2,2-pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane
SMILESFC(F)(F)C(F)(F)OC(OC(F)(F)C(F)(F)F)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C9F20O4/c10-1(11,12)5(22,23)30-9(31-6(24,25)2(13,14)15,32-7(26,27)3(16,17)18)33-8(28,29)4(19,20)21
InChIKeyADEPVNLCNUZGLV-UHFFFAOYSA-N
XLogP6.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.06
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2-pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane 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 1,1,1,2,2-pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane?
The IUPAC name of 1,1,1,2,2-pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane (CID 14338975) is 1,1,1,2,2-pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane is FC(F)(F)C(F)(F)OC(OC(F)(F)C(F)(F)F)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane?
The InChIKey is ADEPVNLCNUZGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F20O4/c10-1(11,12)5(22,23)30-9(31-6(24,25)2(13,14)15,32-7(26,27)3(16,17)18)33-8(28,29)4(19,20)21.
What are the key properties of 1,1,1,2,2-pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane?
1,1,1,2,2-pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane has a molecular weight of 552.06 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane is sourced from PubChem (CID 14338975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).