5-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]pent-1-ene

C11H11F11O3 — CID 54050515

IUPAC5-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]pent-1-ene
SMILESC=CCCCOCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F11O3/c1-2-3-4-5-23-6-7(12,13)24-10(19,20)11(21,22)25-9(17,18)8(14,15)16/h2H,1,3-6H2
InChIKeyLSOIFSWZAVBHHX-UHFFFAOYSA-N
MW400.18 g/mol
LogP4.94
Rot. Bonds11

About 5-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]pent-1-ene

5-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]pent-1-ene (PubChem CID 54050515) has the molecular formula C11H11F11O3 and a molecular weight of 400.18 g/mol. Its IUPAC name is 5-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]pent-1-ene.

Molecular Properties

Compound Name5-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]pent-1-ene
PubChem CID54050515
Molecular FormulaC11H11F11O3
Molecular Weight400.18 g/mol
Exact Mass400.05
IUPAC Name5-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]pent-1-ene
SMILESC=CCCCOCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F11O3/c1-2-3-4-5-23-6-7(12,13)24-10(19,20)11(21,22)25-9(17,18)8(14,15)16/h2H,1,3-6H2
InChIKeyLSOIFSWZAVBHHX-UHFFFAOYSA-N
XLogP4.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.18
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]pent-1-ene?
The IUPAC name of 5-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]pent-1-ene (CID 54050515) is 5-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]pent-1-ene.
What is the SMILES notation for 5-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]pent-1-ene?
The canonical SMILES for 5-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]pent-1-ene is C=CCCCOCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 5-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]pent-1-ene?
The InChIKey is LSOIFSWZAVBHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F11O3/c1-2-3-4-5-23-6-7(12,13)24-10(19,20)11(21,22)25-9(17,18)8(14,15)16/h2H,1,3-6H2.
What are the key properties of 5-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]pent-1-ene?
5-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]pent-1-ene has a molecular weight of 400.18 g/mol, XLogP of 4.94, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]pent-1-ene is sourced from PubChem (CID 54050515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).