1-ethenoxy-1,1,2,3,3,3-hexafluoropropane

C5H4F6O — CID 18424024

IUPAC1-ethenoxy-1,1,2,3,3,3-hexafluoropropane
SMILESC=COC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H4F6O/c1-2-12-5(10,11)3(6)4(7,8)9/h2-3H,1H2
InChIKeyPXNYCIUDEFZREA-UHFFFAOYSA-N
MW194.07 g/mol
LogP2.64
Rot. Bonds3

About 1-ethenoxy-1,1,2,3,3,3-hexafluoropropane

1-ethenoxy-1,1,2,3,3,3-hexafluoropropane (PubChem CID 18424024) has the molecular formula C5H4F6O and a molecular weight of 194.07 g/mol. Its IUPAC name is 1-ethenoxy-1,1,2,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name1-ethenoxy-1,1,2,3,3,3-hexafluoropropane
PubChem CID18424024
Molecular FormulaC5H4F6O
Molecular Weight194.07 g/mol
Exact Mass194.02
IUPAC Name1-ethenoxy-1,1,2,3,3,3-hexafluoropropane
SMILESC=COC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H4F6O/c1-2-12-5(10,11)3(6)4(7,8)9/h2-3H,1H2
InChIKeyPXNYCIUDEFZREA-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 52.64
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 1-ethenoxy-1,1,2,3,3,3-hexafluoropropane?
The IUPAC name of 1-ethenoxy-1,1,2,3,3,3-hexafluoropropane (CID 18424024) is 1-ethenoxy-1,1,2,3,3,3-hexafluoropropane.
What is the SMILES notation for 1-ethenoxy-1,1,2,3,3,3-hexafluoropropane?
The canonical SMILES for 1-ethenoxy-1,1,2,3,3,3-hexafluoropropane is C=COC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1-ethenoxy-1,1,2,3,3,3-hexafluoropropane?
The InChIKey is PXNYCIUDEFZREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O/c1-2-12-5(10,11)3(6)4(7,8)9/h2-3H,1H2.
What are the key properties of 1-ethenoxy-1,1,2,3,3,3-hexafluoropropane?
1-ethenoxy-1,1,2,3,3,3-hexafluoropropane has a molecular weight of 194.07 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,1,2,3,3,3-hexafluoropropane is sourced from PubChem (CID 18424024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).