2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene

C19H15F23O5 — CID 54541396

IUPAC2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(CO)C(F)(F)F.C=C(F)C(F)(F)OC(F)(COC)C(F)(F)F.C=CC(F)(F)F
InChIInChI=1S/C9H5F13O3.C7H7F7O2.C3H3F3/c1-3(10)5(12,13)25-6(14,8(18,19)20)9(21,22)24-4(11,2-23)7(15,16)17;1-4(8)6(10,11)16-5(9,3-15-2)7(12,13)14;1-2-3(4,5)6/h23H,1-2H2;1,3H2,2H3;2H,1H2
InChIKeyZDLDJKZENRWRKF-UHFFFAOYSA-N
MW760.28 g/mol
LogP8.83
Rot. Bonds12

About 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene (PubChem CID 54541396) has the molecular formula C19H15F23O5 and a molecular weight of 760.28 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene
PubChem CID54541396
Molecular FormulaC19H15F23O5
Molecular Weight760.28 g/mol
Exact Mass760.06
IUPAC Name2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(CO)C(F)(F)F.C=C(F)C(F)(F)OC(F)(COC)C(F)(F)F.C=CC(F)(F)F
InChIInChI=1S/C9H5F13O3.C7H7F7O2.C3H3F3/c1-3(10)5(12,13)25-6(14,8(18,19)20)9(21,22)24-4(11,2-23)7(15,16)17;1-4(8)6(10,11)16-5(9,3-15-2)7(12,13)14;1-2-3(4,5)6/h23H,1-2H2;1,3H2,2H3;2H,1H2
InChIKeyZDLDJKZENRWRKF-UHFFFAOYSA-N
XLogP8.83
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms47
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.28
LogP ≤ 58.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene?
The IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene (CID 54541396) is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene is C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(CO)C(F)(F)F.C=C(F)C(F)(F)OC(F)(COC)C(F)(F)F.C=CC(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene?
The InChIKey is ZDLDJKZENRWRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F13O3.C7H7F7O2.C3H3F3/c1-3(10)5(12,13)25-6(14,8(18,19)20)9(21,22)24-4(11,2-23)7(15,16)17;1-4(8)6(10,11)16-5(9,3-15-2)7(12,13)14;1-2-3(4,5)6/h23H,1-2H2;1,3H2,2H3;2H,1H2.
What are the key properties of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene?
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene has a molecular weight of 760.28 g/mol, XLogP of 8.83, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 54541396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).