1-[3-[2,3-bis(prop-2-enoxy)propoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane

C18H19F13O5 — CID 89441101

IUPAC1-[3-[2,3-bis(prop-2-enoxy)propoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=CCOCC(COCC(F)(OC(F)(F)C(F)(OC(F)(F)C(=C)F)C(F)(F)F)C(F)(F)F)OCC=C
InChIInChI=1S/C18H19F13O5/c1-4-6-32-8-12(34-7-5-2)9-33-10-13(20,16(24,25)26)35-18(30,31)15(23,17(27,28)29)36-14(21,22)11(3)19/h4-5,12H,1-3,6-10H2
InChIKeyIRIJHCGIOTXJNV-UHFFFAOYSA-N
MW562.32 g/mol
LogP5.93
Rot. Bonds17

About 1-[3-[2,3-bis(prop-2-enoxy)propoxy]-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-[2,3-bis(prop-2-enoxy)propoxy]-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 89441101) has the molecular formula C18H19F13O5 and a molecular weight of 562.32 g/mol. Its IUPAC name is 1-[3-[2,3-bis(prop-2-enoxy)propoxy]-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-[2,3-bis(prop-2-enoxy)propoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane
PubChem CID89441101
Molecular FormulaC18H19F13O5
Molecular Weight562.32 g/mol
Exact Mass562.10
IUPAC Name1-[3-[2,3-bis(prop-2-enoxy)propoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=CCOCC(COCC(F)(OC(F)(F)C(F)(OC(F)(F)C(=C)F)C(F)(F)F)C(F)(F)F)OCC=C
InChIInChI=1S/C18H19F13O5/c1-4-6-32-8-12(34-7-5-2)9-33-10-13(20,16(24,25)26)35-18(30,31)15(23,17(27,28)29)36-14(21,22)11(3)19/h4-5,12H,1-3,6-10H2
InChIKeyIRIJHCGIOTXJNV-UHFFFAOYSA-N
XLogP5.93
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.32
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2,3-bis(prop-2-enoxy)propoxy]-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-[2,3-bis(prop-2-enoxy)propoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane (CID 89441101) is 1-[3-[2,3-bis(prop-2-enoxy)propoxy]-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-[2,3-bis(prop-2-enoxy)propoxy]-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-[2,3-bis(prop-2-enoxy)propoxy]-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=CCOCC(COCC(F)(OC(F)(F)C(F)(OC(F)(F)C(=C)F)C(F)(F)F)C(F)(F)F)OCC=C.
What is the InChIKey of 1-[3-[2,3-bis(prop-2-enoxy)propoxy]-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 IRIJHCGIOTXJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F13O5/c1-4-6-32-8-12(34-7-5-2)9-33-10-13(20,16(24,25)26)35-18(30,31)15(23,17(27,28)29)36-14(21,22)11(3)19/h4-5,12H,1-3,6-10H2.
What are the key properties of 1-[3-[2,3-bis(prop-2-enoxy)propoxy]-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-[2,3-bis(prop-2-enoxy)propoxy]-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 562.32 g/mol, XLogP of 5.93, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2,3-bis(prop-2-enoxy)propoxy]-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 89441101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).