6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene

C12H13F11O3 — CID 54089133

IUPAC6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene
SMILESC=CCCCCOCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C12H13F11O3/c1-2-3-4-5-6-24-7-8(13,14)25-11(20,21)12(22,23)26-10(18,19)9(15,16)17/h2H,1,3-7H2
InChIKeyMSPPMSOUOKBQFA-UHFFFAOYSA-N
MW414.21 g/mol
LogP5.33
Rot. Bonds12

About 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene

6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene (PubChem CID 54089133) has the molecular formula C12H13F11O3 and a molecular weight of 414.21 g/mol. Its IUPAC name is 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene.

Molecular Properties

Compound Name6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene
PubChem CID54089133
Molecular FormulaC12H13F11O3
Molecular Weight414.21 g/mol
Exact Mass414.07
IUPAC Name6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene
SMILESC=CCCCCOCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C12H13F11O3/c1-2-3-4-5-6-24-7-8(13,14)25-11(20,21)12(22,23)26-10(18,19)9(15,16)17/h2H,1,3-7H2
InChIKeyMSPPMSOUOKBQFA-UHFFFAOYSA-N
XLogP5.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.21
LogP ≤ 55.33
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'}

Analyze 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene 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 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene?
The IUPAC name of 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene (CID 54089133) is 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene.
What is the SMILES notation for 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene?
The canonical SMILES for 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene is C=CCCCCOCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene?
The InChIKey is MSPPMSOUOKBQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F11O3/c1-2-3-4-5-6-24-7-8(13,14)25-11(20,21)12(22,23)26-10(18,19)9(15,16)17/h2H,1,3-7H2.
What are the key properties of 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene?
6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene has a molecular weight of 414.21 g/mol, XLogP of 5.33, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene is sourced from PubChem (CID 54089133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).