3-(1,2,2,3,3,3-hexafluoropropoxy)propane-1,2-diol

C6H8F6O3 — CID 23026182

IUPAC3-(1,2,2,3,3,3-hexafluoropropoxy)propane-1,2-diol
SMILESOCC(O)COC(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F6O3/c7-4(15-2-3(14)1-13)5(8,9)6(10,11)12/h3-4,13-14H,1-2H2
InChIKeyJUSONDLSPMSRIO-UHFFFAOYSA-N
MW242.12 g/mol
LogP0.85
Rot. Bonds5

About 3-(1,2,2,3,3,3-hexafluoropropoxy)propane-1,2-diol

3-(1,2,2,3,3,3-hexafluoropropoxy)propane-1,2-diol (PubChem CID 23026182) has the molecular formula C6H8F6O3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 3-(1,2,2,3,3,3-hexafluoropropoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(1,2,2,3,3,3-hexafluoropropoxy)propane-1,2-diol
PubChem CID23026182
Molecular FormulaC6H8F6O3
Molecular Weight242.12 g/mol
Exact Mass242.04
IUPAC Name3-(1,2,2,3,3,3-hexafluoropropoxy)propane-1,2-diol
SMILESOCC(O)COC(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F6O3/c7-4(15-2-3(14)1-13)5(8,9)6(10,11)12/h3-4,13-14H,1-2H2
InChIKeyJUSONDLSPMSRIO-UHFFFAOYSA-N
XLogP0.85
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,2,2,3,3,3-hexafluoropropoxy)propane-1,2-diol 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 3-(1,2,2,3,3,3-hexafluoropropoxy)propane-1,2-diol?
The IUPAC name of 3-(1,2,2,3,3,3-hexafluoropropoxy)propane-1,2-diol (CID 23026182) is 3-(1,2,2,3,3,3-hexafluoropropoxy)propane-1,2-diol.
What is the SMILES notation for 3-(1,2,2,3,3,3-hexafluoropropoxy)propane-1,2-diol?
The canonical SMILES for 3-(1,2,2,3,3,3-hexafluoropropoxy)propane-1,2-diol is OCC(O)COC(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-(1,2,2,3,3,3-hexafluoropropoxy)propane-1,2-diol?
The InChIKey is JUSONDLSPMSRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O3/c7-4(15-2-3(14)1-13)5(8,9)6(10,11)12/h3-4,13-14H,1-2H2.
What are the key properties of 3-(1,2,2,3,3,3-hexafluoropropoxy)propane-1,2-diol?
3-(1,2,2,3,3,3-hexafluoropropoxy)propane-1,2-diol has a molecular weight of 242.12 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2,3,3,3-hexafluoropropoxy)propane-1,2-diol is sourced from PubChem (CID 23026182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).