1,1,1,2,2,3,3-heptafluoro-3-[(E)-2-fluoroethenoxy]propane

C5H2F8O — CID 11310759

IUPAC1,1,1,2,2,3,3-heptafluoro-3-[(E)-2-fluoroethenoxy]propane
SMILESF/C=C/OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F8O/c6-1-2-14-5(12,13)3(7,8)4(9,10)11/h1-2H/b2-1+
InChIKeyGNEXMMXDJTVLAI-OWOJBTEDSA-N
MW230.05 g/mol
LogP3.23
Rot. Bonds3

About 1,1,1,2,2,3,3-heptafluoro-3-[(E)-2-fluoroethenoxy]propane

1,1,1,2,2,3,3-heptafluoro-3-[(E)-2-fluoroethenoxy]propane (PubChem CID 11310759) has the molecular formula C5H2F8O and a molecular weight of 230.05 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-[(E)-2-fluoroethenoxy]propane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-3-[(E)-2-fluoroethenoxy]propane
PubChem CID11310759
Molecular FormulaC5H2F8O
Molecular Weight230.05 g/mol
Exact Mass230.00
IUPAC Name1,1,1,2,2,3,3-heptafluoro-3-[(E)-2-fluoroethenoxy]propane
SMILESF/C=C/OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F8O/c6-1-2-14-5(12,13)3(7,8)4(9,10)11/h1-2H/b2-1+
InChIKeyGNEXMMXDJTVLAI-OWOJBTEDSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-[(E)-2-fluoroethenoxy]propane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-[(E)-2-fluoroethenoxy]propane (CID 11310759) is 1,1,1,2,2,3,3-heptafluoro-3-[(E)-2-fluoroethenoxy]propane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-[(E)-2-fluoroethenoxy]propane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-[(E)-2-fluoroethenoxy]propane is F/C=C/OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-[(E)-2-fluoroethenoxy]propane?
The InChIKey is GNEXMMXDJTVLAI-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H2F8O/c6-1-2-14-5(12,13)3(7,8)4(9,10)11/h1-2H/b2-1+.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-[(E)-2-fluoroethenoxy]propane?
1,1,1,2,2,3,3-heptafluoro-3-[(E)-2-fluoroethenoxy]propane has a molecular weight of 230.05 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-3-[(E)-2-fluoroethenoxy]propane is sourced from PubChem (CID 11310759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).