1,1,2,2,3,3-hexafluoro-1,3-bis(prop-2-enoxy)propane

C9H10F6O2 — CID 14548675

IUPAC1,1,2,2,3,3-hexafluoro-1,3-bis(prop-2-enoxy)propane
SMILESC=CCOC(F)(F)C(F)(F)C(F)(F)OCC=C
InChIInChI=1S/C9H10F6O2/c1-3-5-16-8(12,13)7(10,11)9(14,15)17-6-4-2/h3-4H,1-2,5-6H2
InChIKeyXDGZPZGRHDOZMP-UHFFFAOYSA-N
MW264.17 g/mol
LogP3.21
Rot. Bonds8

About 1,1,2,2,3,3-hexafluoro-1,3-bis(prop-2-enoxy)propane

1,1,2,2,3,3-hexafluoro-1,3-bis(prop-2-enoxy)propane (PubChem CID 14548675) has the molecular formula C9H10F6O2 and a molecular weight of 264.17 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-1,3-bis(prop-2-enoxy)propane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-1,3-bis(prop-2-enoxy)propane
PubChem CID14548675
Molecular FormulaC9H10F6O2
Molecular Weight264.17 g/mol
Exact Mass264.06
IUPAC Name1,1,2,2,3,3-hexafluoro-1,3-bis(prop-2-enoxy)propane
SMILESC=CCOC(F)(F)C(F)(F)C(F)(F)OCC=C
InChIInChI=1S/C9H10F6O2/c1-3-5-16-8(12,13)7(10,11)9(14,15)17-6-4-2/h3-4H,1-2,5-6H2
InChIKeyXDGZPZGRHDOZMP-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 53.21
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 1,1,2,2,3,3-hexafluoro-1,3-bis(prop-2-enoxy)propane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-1,3-bis(prop-2-enoxy)propane (CID 14548675) is 1,1,2,2,3,3-hexafluoro-1,3-bis(prop-2-enoxy)propane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-1,3-bis(prop-2-enoxy)propane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-1,3-bis(prop-2-enoxy)propane is C=CCOC(F)(F)C(F)(F)C(F)(F)OCC=C.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-1,3-bis(prop-2-enoxy)propane?
The InChIKey is XDGZPZGRHDOZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6O2/c1-3-5-16-8(12,13)7(10,11)9(14,15)17-6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of 1,1,2,2,3,3-hexafluoro-1,3-bis(prop-2-enoxy)propane?
1,1,2,2,3,3-hexafluoro-1,3-bis(prop-2-enoxy)propane has a molecular weight of 264.17 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-1,3-bis(prop-2-enoxy)propane is sourced from PubChem (CID 14548675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).