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

C7F16O3 — CID 15218860

IUPAC1,1,1,2,2-pentafluoro-2-[fluoro-bis(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane
SMILESFC(OC(F)(F)C(F)(F)F)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C7F16O3/c8-1(9,10)4(17,18)24-7(23,25-5(19,20)2(11,12)13)26-6(21,22)3(14,15)16
InChIKeyOSMZKIJDBJROJU-UHFFFAOYSA-N
MW436.04 g/mol
LogP5.08
Rot. Bonds6

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

1,1,1,2,2-pentafluoro-2-[fluoro-bis(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane (PubChem CID 15218860) has the molecular formula C7F16O3 and a molecular weight of 436.04 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-2-[fluoro-bis(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-2-[fluoro-bis(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane
PubChem CID15218860
Molecular FormulaC7F16O3
Molecular Weight436.04 g/mol
Exact Mass435.96
IUPAC Name1,1,1,2,2-pentafluoro-2-[fluoro-bis(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane
SMILESFC(OC(F)(F)C(F)(F)F)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C7F16O3/c8-1(9,10)4(17,18)24-7(23,25-5(19,20)2(11,12)13)26-6(21,22)3(14,15)16
InChIKeyOSMZKIJDBJROJU-UHFFFAOYSA-N
XLogP5.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.04
LogP ≤ 55.08
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'}

Analyze 1,1,1,2,2-pentafluoro-2-[fluoro-bis(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-[fluoro-bis(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane?
The IUPAC name of 1,1,1,2,2-pentafluoro-2-[fluoro-bis(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane (CID 15218860) is 1,1,1,2,2-pentafluoro-2-[fluoro-bis(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-2-[fluoro-bis(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-2-[fluoro-bis(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane is FC(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-[fluoro-bis(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane?
The InChIKey is OSMZKIJDBJROJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F16O3/c8-1(9,10)4(17,18)24-7(23,25-5(19,20)2(11,12)13)26-6(21,22)3(14,15)16.
What are the key properties of 1,1,1,2,2-pentafluoro-2-[fluoro-bis(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane?
1,1,1,2,2-pentafluoro-2-[fluoro-bis(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane has a molecular weight of 436.04 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-2-[fluoro-bis(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane is sourced from PubChem (CID 15218860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).