2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)oxane

C8H9F5O2 — CID 14068372

IUPAC2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)oxane
SMILESFC(F)=C(OC1CCCCO1)C(F)(F)F
InChIInChI=1S/C8H9F5O2/c9-7(10)6(8(11,12)13)15-5-3-1-2-4-14-5/h5H,1-4H2
InChIKeyZSUFYHJQKSVOGF-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.20
Rot. Bonds2

About 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)oxane

2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)oxane (PubChem CID 14068372) has the molecular formula C8H9F5O2 and a molecular weight of 232.15 g/mol. Its IUPAC name is 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)oxane.

Molecular Properties

Compound Name2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)oxane
PubChem CID14068372
Molecular FormulaC8H9F5O2
Molecular Weight232.15 g/mol
Exact Mass232.05
IUPAC Name2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)oxane
SMILESFC(F)=C(OC1CCCCO1)C(F)(F)F
InChIInChI=1S/C8H9F5O2/c9-7(10)6(8(11,12)13)15-5-3-1-2-4-14-5/h5H,1-4H2
InChIKeyZSUFYHJQKSVOGF-UHFFFAOYSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)oxane?
The IUPAC name of 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)oxane (CID 14068372) is 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)oxane.
What is the SMILES notation for 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)oxane?
The canonical SMILES for 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)oxane is FC(F)=C(OC1CCCCO1)C(F)(F)F.
What is the InChIKey of 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)oxane?
The InChIKey is ZSUFYHJQKSVOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5O2/c9-7(10)6(8(11,12)13)15-5-3-1-2-4-14-5/h5H,1-4H2.
What are the key properties of 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)oxane?
2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)oxane has a molecular weight of 232.15 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)oxane is sourced from PubChem (CID 14068372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).