1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-methoxypropane

C6H6F6O2 — CID 87288191

IUPAC1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-methoxypropane
SMILESC=COC(F)(OC)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F6O2/c1-3-14-6(12,13-2)4(7,8)5(9,10)11/h3H,1H2,2H3
InChIKeyKANAGERKTKEJPZ-UHFFFAOYSA-N
MW224.10 g/mol
LogP2.61
Rot. Bonds4

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

1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-methoxypropane (PubChem CID 87288191) has the molecular formula C6H6F6O2 and a molecular weight of 224.10 g/mol. Its IUPAC name is 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-methoxypropane.

Molecular Properties

Compound Name1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-methoxypropane
PubChem CID87288191
Molecular FormulaC6H6F6O2
Molecular Weight224.10 g/mol
Exact Mass224.03
IUPAC Name1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-methoxypropane
SMILESC=COC(F)(OC)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F6O2/c1-3-14-6(12,13-2)4(7,8)5(9,10)11/h3H,1H2,2H3
InChIKeyKANAGERKTKEJPZ-UHFFFAOYSA-N
XLogP2.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-methoxypropane?
The IUPAC name of 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-methoxypropane (CID 87288191) is 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-methoxypropane.
What is the SMILES notation for 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-methoxypropane?
The canonical SMILES for 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-methoxypropane is C=COC(F)(OC)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-methoxypropane?
The InChIKey is KANAGERKTKEJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O2/c1-3-14-6(12,13-2)4(7,8)5(9,10)11/h3H,1H2,2H3.
What are the key properties of 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-methoxypropane?
1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-methoxypropane has a molecular weight of 224.10 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-methoxypropane is sourced from PubChem (CID 87288191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).