1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane

C9H5F13O2 — CID 14766781

IUPAC1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane
SMILESC=CCOC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F13O2/c1-2-3-23-9(21,22)5(12,7(16,17)18)24-8(19,20)4(10,11)6(13,14)15/h2H,1,3H2
InChIKeyJGAPXNAZDBXZAQ-UHFFFAOYSA-N
MW392.11 g/mol
LogP4.82
Rot. Bonds7

About 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane

1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane (PubChem CID 14766781) has the molecular formula C9H5F13O2 and a molecular weight of 392.11 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane
PubChem CID14766781
Molecular FormulaC9H5F13O2
Molecular Weight392.11 g/mol
Exact Mass392.01
IUPAC Name1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane
SMILESC=CCOC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F13O2/c1-2-3-23-9(21,22)5(12,7(16,17)18)24-8(19,20)4(10,11)6(13,14)15/h2H,1,3H2
InChIKeyJGAPXNAZDBXZAQ-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.11
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane (CID 14766781) is 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane is C=CCOC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane?
The InChIKey is JGAPXNAZDBXZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F13O2/c1-2-3-23-9(21,22)5(12,7(16,17)18)24-8(19,20)4(10,11)6(13,14)15/h2H,1,3H2.
What are the key properties of 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane?
1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane has a molecular weight of 392.11 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane is sourced from PubChem (CID 14766781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).