3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane

C7H6F8O — CID 57312644

IUPAC3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane
SMILESC=COC(C(F)C(F)(F)F)C(F)(F)C(F)F
InChIInChI=1S/C7H6F8O/c1-2-16-4(3(8)7(13,14)15)6(11,12)5(9)10/h2-5H,1H2
InChIKeyFPCKFZVGBCALIM-UHFFFAOYSA-N
MW258.11 g/mol
LogP3.32
Rot. Bonds5

About 3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane

3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane (PubChem CID 57312644) has the molecular formula C7H6F8O and a molecular weight of 258.11 g/mol. Its IUPAC name is 3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane.

Molecular Properties

Compound Name3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane
PubChem CID57312644
Molecular FormulaC7H6F8O
Molecular Weight258.11 g/mol
Exact Mass258.03
IUPAC Name3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane
SMILESC=COC(C(F)C(F)(F)F)C(F)(F)C(F)F
InChIInChI=1S/C7H6F8O/c1-2-16-4(3(8)7(13,14)15)6(11,12)5(9)10/h2-5H,1H2
InChIKeyFPCKFZVGBCALIM-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 53.32
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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Related Compounds

2-ethenoxy-1,1,1,3-tetrafluorobutane
CID 54405193
3-ethenoxy-1,1,2,2,5,5-hexafluoropentane
CID 54352074
1,1,1,2,4,4,4-heptafluoro-3-methoxybutane
CID 57200862
2-chloro-1,1,1,2-tetrafluoroethane;ethenoxyethene
CID 174518312
1-ethenoxy-1,2,2-trifluoroethane
CID 22645809
1-ethenoxy-1,2-difluoroethane
CID 56626472
1,1,2,2,4,5,5-heptafluoro-3-methoxypentane
CID 54161073
fluoro hypofluorite;1,1,1,2,2-pentafluoroethane
CID 174898665
3-ethoxy-1,1,2,2,4-pentafluoropentane
CID 57087164
1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride
CID 87438689
1,1,1,2,2-pentafluoroethane iodide
CID 157061199
1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane
CID 87288229

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane?
The IUPAC name of 3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane (CID 57312644) is 3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane.
What is the SMILES notation for 3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane?
The canonical SMILES for 3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane is C=COC(C(F)C(F)(F)F)C(F)(F)C(F)F.
What is the InChIKey of 3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane?
The InChIKey is FPCKFZVGBCALIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F8O/c1-2-16-4(3(8)7(13,14)15)6(11,12)5(9)10/h2-5H,1H2.
What are the key properties of 3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane?
3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane has a molecular weight of 258.11 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane is sourced from PubChem (CID 57312644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).