1-ethenoxy-1,1,2,3,3,3-hexafluoro-2-propoxypropane

C8H10F6O2 — CID 87119262

IUPAC1-ethenoxy-1,1,2,3,3,3-hexafluoro-2-propoxypropane
SMILESC=COC(F)(F)C(F)(OCCC)C(F)(F)F
InChIInChI=1S/C8H10F6O2/c1-3-5-16-6(9,7(10,11)12)8(13,14)15-4-2/h4H,2-3,5H2,1H3
InChIKeyYTJAFXSMYRLNBF-UHFFFAOYSA-N
MW252.15 g/mol
LogP3.39
Rot. Bonds6

About 1-ethenoxy-1,1,2,3,3,3-hexafluoro-2-propoxypropane

1-ethenoxy-1,1,2,3,3,3-hexafluoro-2-propoxypropane (PubChem CID 87119262) has the molecular formula C8H10F6O2 and a molecular weight of 252.15 g/mol. Its IUPAC name is 1-ethenoxy-1,1,2,3,3,3-hexafluoro-2-propoxypropane.

Molecular Properties

Compound Name1-ethenoxy-1,1,2,3,3,3-hexafluoro-2-propoxypropane
PubChem CID87119262
Molecular FormulaC8H10F6O2
Molecular Weight252.15 g/mol
Exact Mass252.06
IUPAC Name1-ethenoxy-1,1,2,3,3,3-hexafluoro-2-propoxypropane
SMILESC=COC(F)(F)C(F)(OCCC)C(F)(F)F
InChIInChI=1S/C8H10F6O2/c1-3-5-16-6(9,7(10,11)12)8(13,14)15-4-2/h4H,2-3,5H2,1H3
InChIKeyYTJAFXSMYRLNBF-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 53.39
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 1-ethenoxy-1,1,2,3,3,3-hexafluoro-2-propoxypropane?
The IUPAC name of 1-ethenoxy-1,1,2,3,3,3-hexafluoro-2-propoxypropane (CID 87119262) is 1-ethenoxy-1,1,2,3,3,3-hexafluoro-2-propoxypropane.
What is the SMILES notation for 1-ethenoxy-1,1,2,3,3,3-hexafluoro-2-propoxypropane?
The canonical SMILES for 1-ethenoxy-1,1,2,3,3,3-hexafluoro-2-propoxypropane is C=COC(F)(F)C(F)(OCCC)C(F)(F)F.
What is the InChIKey of 1-ethenoxy-1,1,2,3,3,3-hexafluoro-2-propoxypropane?
The InChIKey is YTJAFXSMYRLNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O2/c1-3-5-16-6(9,7(10,11)12)8(13,14)15-4-2/h4H,2-3,5H2,1H3.
What are the key properties of 1-ethenoxy-1,1,2,3,3,3-hexafluoro-2-propoxypropane?
1-ethenoxy-1,1,2,3,3,3-hexafluoro-2-propoxypropane has a molecular weight of 252.15 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,1,2,3,3,3-hexafluoro-2-propoxypropane is sourced from PubChem (CID 87119262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).