2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol

C6H8F6O2 — CID 50913475

IUPAC2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol
SMILESOCCOCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C6H8F6O2/c7-4(6(10,11)12)5(8,9)3-14-2-1-13/h4,13H,1-3H2
InChIKeyDBCKBJPBDWIANA-UHFFFAOYSA-N
MW226.12 g/mol
LogP1.53
Rot. Bonds5

About 2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol

2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol (PubChem CID 50913475) has the molecular formula C6H8F6O2 and a molecular weight of 226.12 g/mol. Its IUPAC name is 2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol.

Molecular Properties

Compound Name2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol
PubChem CID50913475
Molecular FormulaC6H8F6O2
Molecular Weight226.12 g/mol
Exact Mass226.04
IUPAC Name2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol
SMILESOCCOCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C6H8F6O2/c7-4(6(10,11)12)5(8,9)3-14-2-1-13/h4,13H,1-3H2
InChIKeyDBCKBJPBDWIANA-UHFFFAOYSA-N
XLogP1.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol 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-(2,2,3,4,4,4-hexafluorobutoxy)ethanol?
The IUPAC name of 2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol (CID 50913475) is 2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol.
What is the SMILES notation for 2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol?
The canonical SMILES for 2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol is OCCOCC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol?
The InChIKey is DBCKBJPBDWIANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O2/c7-4(6(10,11)12)5(8,9)3-14-2-1-13/h4,13H,1-3H2.
What are the key properties of 2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol?
2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol has a molecular weight of 226.12 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol is sourced from PubChem (CID 50913475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).