1,1,1,3,3,3-hexafluoro-2-(prop-2-enoxymethyl)-2-(1,1,2-trifluoroethoxy)propane

C9H9F9O2 — CID 22966651

IUPAC1,1,1,3,3,3-hexafluoro-2-(prop-2-enoxymethyl)-2-(1,1,2-trifluoroethoxy)propane
SMILESC=CCOCC(OC(F)(F)CF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F9O2/c1-2-3-19-5-6(8(13,14)15,9(16,17)18)20-7(11,12)4-10/h2H,1,3-5H2
InChIKeyFFMQEFFXCDBCGV-UHFFFAOYSA-N
MW320.15 g/mol
LogP3.63
Rot. Bonds7

About 1,1,1,3,3,3-hexafluoro-2-(prop-2-enoxymethyl)-2-(1,1,2-trifluoroethoxy)propane

1,1,1,3,3,3-hexafluoro-2-(prop-2-enoxymethyl)-2-(1,1,2-trifluoroethoxy)propane (PubChem CID 22966651) has the molecular formula C9H9F9O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(prop-2-enoxymethyl)-2-(1,1,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(prop-2-enoxymethyl)-2-(1,1,2-trifluoroethoxy)propane
PubChem CID22966651
Molecular FormulaC9H9F9O2
Molecular Weight320.15 g/mol
Exact Mass320.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(prop-2-enoxymethyl)-2-(1,1,2-trifluoroethoxy)propane
SMILESC=CCOCC(OC(F)(F)CF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F9O2/c1-2-3-19-5-6(8(13,14)15,9(16,17)18)20-7(11,12)4-10/h2H,1,3-5H2
InChIKeyFFMQEFFXCDBCGV-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(prop-2-enoxymethyl)-2-(1,1,2-trifluoroethoxy)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(prop-2-enoxymethyl)-2-(1,1,2-trifluoroethoxy)propane (CID 22966651) is 1,1,1,3,3,3-hexafluoro-2-(prop-2-enoxymethyl)-2-(1,1,2-trifluoroethoxy)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(prop-2-enoxymethyl)-2-(1,1,2-trifluoroethoxy)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(prop-2-enoxymethyl)-2-(1,1,2-trifluoroethoxy)propane is C=CCOCC(OC(F)(F)CF)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(prop-2-enoxymethyl)-2-(1,1,2-trifluoroethoxy)propane?
The InChIKey is FFMQEFFXCDBCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9O2/c1-2-3-19-5-6(8(13,14)15,9(16,17)18)20-7(11,12)4-10/h2H,1,3-5H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(prop-2-enoxymethyl)-2-(1,1,2-trifluoroethoxy)propane?
1,1,1,3,3,3-hexafluoro-2-(prop-2-enoxymethyl)-2-(1,1,2-trifluoroethoxy)propane has a molecular weight of 320.15 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(prop-2-enoxymethyl)-2-(1,1,2-trifluoroethoxy)propane is sourced from PubChem (CID 22966651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).