1,1,1,2,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]butane

C12H6F20O3 — CID 118124202

IUPAC1,1,1,2,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]butane
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(C(C)(F)F)C(F)(F)F
InChIInChI=1S/C12H6F20O3/c1-3(13,14)6(19,7(20,21)22)33-11(29,30)12(31,32)35-10(27,28)5(17,18)9(25,26)34-8(23,24)4(2,15)16/h1-2H3
InChIKeyJUKUXLDZUFMCSX-UHFFFAOYSA-N
MW578.14 g/mol
LogP7.17
Rot. Bonds11

About 1,1,1,2,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]butane

1,1,1,2,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]butane (PubChem CID 118124202) has the molecular formula C12H6F20O3 and a molecular weight of 578.14 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]butane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]butane
PubChem CID118124202
Molecular FormulaC12H6F20O3
Molecular Weight578.14 g/mol
Exact Mass578.00
IUPAC Name1,1,1,2,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]butane
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(C(C)(F)F)C(F)(F)F
InChIInChI=1S/C12H6F20O3/c1-3(13,14)6(19,7(20,21)22)33-11(29,30)12(31,32)35-10(27,28)5(17,18)9(25,26)34-8(23,24)4(2,15)16/h1-2H3
InChIKeyJUKUXLDZUFMCSX-UHFFFAOYSA-N
XLogP7.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.14
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,1,2,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]butane 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-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]butane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]butane (CID 118124202) is 1,1,1,2,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]butane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]butane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]butane is CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(C(C)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]butane?
The InChIKey is JUKUXLDZUFMCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F20O3/c1-3(13,14)6(19,7(20,21)22)33-11(29,30)12(31,32)35-10(27,28)5(17,18)9(25,26)34-8(23,24)4(2,15)16/h1-2H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]butane?
1,1,1,2,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]butane has a molecular weight of 578.14 g/mol, XLogP of 7.17, 11 rotatable bonds, 0 hydrogen bond donors, and 3 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-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]butane is sourced from PubChem (CID 118124202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).