3-[2,2,3,3-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)propoxy]hex-1-ene

C11H13F9O2 — CID 18359604

IUPAC3-[2,2,3,3-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)propoxy]hex-1-ene
SMILESC=CC(CCC)OC(OC(F)(F)C(F)(F)F)C(F)(F)C(F)F
InChIInChI=1S/C11H13F9O2/c1-3-5-6(4-2)21-8(9(14,15)7(12)13)22-11(19,20)10(16,17)18/h4,6-8H,2-3,5H2,1H3
InChIKeyJDOMDCBZRXFMSQ-UHFFFAOYSA-N
MW348.21 g/mol
LogP4.76
Rot. Bonds9

About 3-[2,2,3,3-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)propoxy]hex-1-ene

3-[2,2,3,3-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)propoxy]hex-1-ene (PubChem CID 18359604) has the molecular formula C11H13F9O2 and a molecular weight of 348.21 g/mol. Its IUPAC name is 3-[2,2,3,3-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)propoxy]hex-1-ene.

Molecular Properties

Compound Name3-[2,2,3,3-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)propoxy]hex-1-ene
PubChem CID18359604
Molecular FormulaC11H13F9O2
Molecular Weight348.21 g/mol
Exact Mass348.08
IUPAC Name3-[2,2,3,3-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)propoxy]hex-1-ene
SMILESC=CC(CCC)OC(OC(F)(F)C(F)(F)F)C(F)(F)C(F)F
InChIInChI=1S/C11H13F9O2/c1-3-5-6(4-2)21-8(9(14,15)7(12)13)22-11(19,20)10(16,17)18/h4,6-8H,2-3,5H2,1H3
InChIKeyJDOMDCBZRXFMSQ-UHFFFAOYSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 3-[2,2,3,3-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)propoxy]hex-1-ene?
The IUPAC name of 3-[2,2,3,3-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)propoxy]hex-1-ene (CID 18359604) is 3-[2,2,3,3-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)propoxy]hex-1-ene.
What is the SMILES notation for 3-[2,2,3,3-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)propoxy]hex-1-ene?
The canonical SMILES for 3-[2,2,3,3-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)propoxy]hex-1-ene is C=CC(CCC)OC(OC(F)(F)C(F)(F)F)C(F)(F)C(F)F.
What is the InChIKey of 3-[2,2,3,3-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)propoxy]hex-1-ene?
The InChIKey is JDOMDCBZRXFMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F9O2/c1-3-5-6(4-2)21-8(9(14,15)7(12)13)22-11(19,20)10(16,17)18/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 3-[2,2,3,3-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)propoxy]hex-1-ene?
3-[2,2,3,3-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)propoxy]hex-1-ene has a molecular weight of 348.21 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2,3,3-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)propoxy]hex-1-ene is sourced from PubChem (CID 18359604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).