1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol

C13H17F9O3 — CID 21195202

IUPAC1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol
SMILESC=CCCCCC(O)COCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C13H17F9O3/c1-2-3-4-5-6-9(23)7-24-8-10(14,15)12(19,20)25-13(21,22)11(16,17)18/h2,9,23H,1,3-8H2
InChIKeyHQNYOPYAEMLQES-UHFFFAOYSA-N
MW392.26 g/mol
LogP4.51
Rot. Bonds12

About 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol

1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol (PubChem CID 21195202) has the molecular formula C13H17F9O3 and a molecular weight of 392.26 g/mol. Its IUPAC name is 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol.

Molecular Properties

Compound Name1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol
PubChem CID21195202
Molecular FormulaC13H17F9O3
Molecular Weight392.26 g/mol
Exact Mass392.10
IUPAC Name1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol
SMILESC=CCCCCC(O)COCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C13H17F9O3/c1-2-3-4-5-6-9(23)7-24-8-10(14,15)12(19,20)25-13(21,22)11(16,17)18/h2,9,23H,1,3-8H2
InChIKeyHQNYOPYAEMLQES-UHFFFAOYSA-N
XLogP4.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 54.51
H-Bond Donors ≤ 51
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 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol?
The IUPAC name of 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol (CID 21195202) is 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol.
What is the SMILES notation for 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol?
The canonical SMILES for 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol is C=CCCCCC(O)COCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol?
The InChIKey is HQNYOPYAEMLQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F9O3/c1-2-3-4-5-6-9(23)7-24-8-10(14,15)12(19,20)25-13(21,22)11(16,17)18/h2,9,23H,1,3-8H2.
What are the key properties of 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol?
1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol has a molecular weight of 392.26 g/mol, XLogP of 4.51, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol is sourced from PubChem (CID 21195202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).