2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propan-1-ol

C7H4F12O3 — CID 86668230

IUPAC2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propan-1-ol
SMILESOCC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C7H4F12O3/c8-2(3(9,10)1-20)21-5(13,14)4(11,12)6(15,16)22-7(17,18)19/h2,20H,1H2
InChIKeyOVOAULABUSUXHV-UHFFFAOYSA-N
MW364.08 g/mol
LogP3.28
Rot. Bonds7

About 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propan-1-ol

2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propan-1-ol (PubChem CID 86668230) has the molecular formula C7H4F12O3 and a molecular weight of 364.08 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propan-1-ol
PubChem CID86668230
Molecular FormulaC7H4F12O3
Molecular Weight364.08 g/mol
Exact Mass364.00
IUPAC Name2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propan-1-ol
SMILESOCC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C7H4F12O3/c8-2(3(9,10)1-20)21-5(13,14)4(11,12)6(15,16)22-7(17,18)19/h2,20H,1H2
InChIKeyOVOAULABUSUXHV-UHFFFAOYSA-N
XLogP3.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)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 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propan-1-ol?
The IUPAC name of 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propan-1-ol (CID 86668230) is 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propan-1-ol.
What is the SMILES notation for 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propan-1-ol?
The canonical SMILES for 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propan-1-ol is OCC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propan-1-ol?
The InChIKey is OVOAULABUSUXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F12O3/c8-2(3(9,10)1-20)21-5(13,14)4(11,12)6(15,16)22-7(17,18)19/h2,20H,1H2.
What are the key properties of 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propan-1-ol?
2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propan-1-ol has a molecular weight of 364.08 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propan-1-ol is sourced from PubChem (CID 86668230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).