1,1,1,3,3,3-hexafluoro-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]-2-(trifluoromethyl)propane

C55H103F9O25 — CID 129013086

IUPAC1,1,1,3,3,3-hexafluoro-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]-2-(trifluoromethyl)propane
SMILESCCCOC(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C55H103F9O25/c1-3-4-88-51(50-89-52(53(56,57)58,54(59,60)61)55(62,63)64)49-87-48-47-86-46-45-85-44-43-84-42-41-83-40-39-82-38-37-81-36-35-80-34-33-79-32-31-78-30-29-77-28-27-76-26-25-75-24-23-74-22-21-73-20-19-72-18-17-71-16-15-70-14-13-69-12-11-68-10-9-67-8-7-66-6-5-65-2/h51H,3-50H2,1-2H3
InChIKeySKLGHKFRPNIINA-UHFFFAOYSA-N
MW1335.39 g/mol
LogP4.24
Rot. Bonds74

About 1,1,1,3,3,3-hexafluoro-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]-2-(trifluoromethyl)propane

1,1,1,3,3,3-hexafluoro-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]-2-(trifluoromethyl)propane (PubChem CID 129013086) has the molecular formula C55H103F9O25 and a molecular weight of 1335.39 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]-2-(trifluoromethyl)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]-2-(trifluoromethyl)propane
PubChem CID129013086
Molecular FormulaC55H103F9O25
Molecular Weight1335.39 g/mol
Exact Mass1334.66
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]-2-(trifluoromethyl)propane
SMILESCCCOC(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C55H103F9O25/c1-3-4-88-51(50-89-52(53(56,57)58,54(59,60)61)55(62,63)64)49-87-48-47-86-46-45-85-44-43-84-42-41-83-40-39-82-38-37-81-36-35-80-34-33-79-32-31-78-30-29-77-28-27-76-26-25-75-24-23-74-22-21-73-20-19-72-18-17-71-16-15-70-14-13-69-12-11-68-10-9-67-8-7-66-6-5-65-2/h51H,3-50H2,1-2H3
InChIKeySKLGHKFRPNIINA-UHFFFAOYSA-N
XLogP4.24
TPSA230.75 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds74
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001335.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 1,1,1,3,3,3-hexafluoro-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]-2-(trifluoromethyl)propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]-2-(trifluoromethyl)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]-2-(trifluoromethyl)propane (CID 129013086) is 1,1,1,3,3,3-hexafluoro-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]-2-(trifluoromethyl)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]-2-(trifluoromethyl)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]-2-(trifluoromethyl)propane is CCCOC(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]-2-(trifluoromethyl)propane?
The InChIKey is SKLGHKFRPNIINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H103F9O25/c1-3-4-88-51(50-89-52(53(56,57)58,54(59,60)61)55(62,63)64)49-87-48-47-86-46-45-85-44-43-84-42-41-83-40-39-82-38-37-81-36-35-80-34-33-79-32-31-78-30-29-77-28-27-76-26-25-75-24-23-74-22-21-73-20-19-72-18-17-71-16-15-70-14-13-69-12-11-68-10-9-67-8-7-66-6-5-65-2/h51H,3-50H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]-2-(trifluoromethyl)propane?
1,1,1,3,3,3-hexafluoro-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]-2-(trifluoromethyl)propane has a molecular weight of 1335.39 g/mol, XLogP of 4.24, 74 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]-2-(trifluoromethyl)propane is sourced from PubChem (CID 129013086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).