2-(ethenoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane

C6H5F7O — CID 20802051

IUPAC2-(ethenoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane
SMILESC=COCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F7O/c1-2-14-3-4(7,5(8,9)10)6(11,12)13/h2H,1,3H2
InChIKeyXLFHBCNQGAXTPB-UHFFFAOYSA-N
MW226.09 g/mol
LogP2.98
Rot. Bonds3

About 2-(ethenoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane

2-(ethenoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane (PubChem CID 20802051) has the molecular formula C6H5F7O and a molecular weight of 226.09 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane
PubChem CID20802051
Molecular FormulaC6H5F7O
Molecular Weight226.09 g/mol
Exact Mass226.02
IUPAC Name2-(ethenoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane
SMILESC=COCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F7O/c1-2-14-3-4(7,5(8,9)10)6(11,12)13/h2H,1,3H2
InChIKeyXLFHBCNQGAXTPB-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane?
The IUPAC name of 2-(ethenoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane (CID 20802051) is 2-(ethenoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 2-(ethenoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane?
The canonical SMILES for 2-(ethenoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane is C=COCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(ethenoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane?
The InChIKey is XLFHBCNQGAXTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O/c1-2-14-3-4(7,5(8,9)10)6(11,12)13/h2H,1,3H2.
What are the key properties of 2-(ethenoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane?
2-(ethenoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane has a molecular weight of 226.09 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 20802051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).