1-[3-(2-ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane

C15H15F13O5 — CID 121401315

IUPAC1-[3-(2-ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=COC(COCC(F)(OC(F)(F)C(F)(OC(F)(F)C(=C)F)C(F)(F)F)C(F)(F)F)OCC
InChIInChI=1S/C15H15F13O5/c1-4-30-9(31-5-2)6-29-7-10(17,13(21,22)23)32-15(27,28)12(20,14(24,25)26)33-11(18,19)8(3)16/h4,9H,1,3,5-7H2,2H3
InChIKeySFGYMRQBNZSUKA-UHFFFAOYSA-N
MW522.25 g/mol
LogP5.68
Rot. Bonds14

About 1-[3-(2-ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane

1-[3-(2-ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane (PubChem CID 121401315) has the molecular formula C15H15F13O5 and a molecular weight of 522.25 g/mol. Its IUPAC name is 1-[3-(2-ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane.

Molecular Properties

Compound Name1-[3-(2-ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane
PubChem CID121401315
Molecular FormulaC15H15F13O5
Molecular Weight522.25 g/mol
Exact Mass522.07
IUPAC Name1-[3-(2-ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=COC(COCC(F)(OC(F)(F)C(F)(OC(F)(F)C(=C)F)C(F)(F)F)C(F)(F)F)OCC
InChIInChI=1S/C15H15F13O5/c1-4-30-9(31-5-2)6-29-7-10(17,13(21,22)23)32-15(27,28)12(20,14(24,25)26)33-11(18,19)8(3)16/h4,9H,1,3,5-7H2,2H3
InChIKeySFGYMRQBNZSUKA-UHFFFAOYSA-N
XLogP5.68
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.25
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze 1-[3-(2-ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane with MolForge

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Related Compounds

1,1-Difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxyprop-1-ene
CID 10847511
3-(1,1,2,2-Tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene
CID 57259911
1-[Difluoro(methoxy)methoxy]-1,1,2-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 58947848
2-[2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]oxetane
CID 59559046
3-[2-[[2-(2,2-Difluoroethenoxy)-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethoxy]prop-1-ene
CID 59866553
1-[3-[2,2-Bis(ethenoxy)ethoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 89441104
1,1-Difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene
CID 62706708

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The IUPAC name of 1-[3-(2-ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane (CID 121401315) is 1-[3-(2-ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane.
What is the SMILES notation for 1-[3-(2-ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The canonical SMILES for 1-[3-(2-ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane is C=COC(COCC(F)(OC(F)(F)C(F)(OC(F)(F)C(=C)F)C(F)(F)F)C(F)(F)F)OCC.
What is the InChIKey of 1-[3-(2-ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The InChIKey is SFGYMRQBNZSUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F13O5/c1-4-30-9(31-5-2)6-29-7-10(17,13(21,22)23)32-15(27,28)12(20,14(24,25)26)33-11(18,19)8(3)16/h4,9H,1,3,5-7H2,2H3.
What are the key properties of 1-[3-(2-ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane?
1-[3-(2-ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane has a molecular weight of 522.25 g/mol, XLogP of 5.68, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane is sourced from PubChem (CID 121401315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).