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

C9H5F13O3 — CID 22897552

IUPAC2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(CO)C(F)(F)F
InChIInChI=1S/C9H5F13O3/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/h23H,1-2H2
InChIKeyUOELVWCFAMHMML-UHFFFAOYSA-N
MW408.11 g/mol
LogP4.14
Rot. Bonds7

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

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol (PubChem CID 22897552) has the molecular formula C9H5F13O3 and a molecular weight of 408.11 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.

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
PubChem CID22897552
Molecular FormulaC9H5F13O3
Molecular Weight408.11 g/mol
Exact Mass408.00
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
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(CO)C(F)(F)F
InChIInChI=1S/C9H5F13O3/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/h23H,1-2H2
InChIKeyUOELVWCFAMHMML-UHFFFAOYSA-N
XLogP4.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.11
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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?
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 (CID 22897552) 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.
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?
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 is C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(CO)C(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?
The InChIKey is UOELVWCFAMHMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F13O3/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/h23H,1-2H2.
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?
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol has a molecular weight of 408.11 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 22897552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).