2,2,3,3,4,4-hexafluoro-5-methoxypentan-1-ol

C6H8F6O2 — CID 15789468

IUPAC2,2,3,3,4,4-hexafluoro-5-methoxypentan-1-ol
SMILESCOCC(F)(F)C(F)(F)C(F)(F)CO
InChIInChI=1S/C6H8F6O2/c1-14-3-5(9,10)6(11,12)4(7,8)2-13/h13H,2-3H2,1H3
InChIKeyIWJABMJSSQDCEK-UHFFFAOYSA-N
MW226.12 g/mol
LogP1.53
Rot. Bonds5

About 2,2,3,3,4,4-hexafluoro-5-methoxypentan-1-ol

2,2,3,3,4,4-hexafluoro-5-methoxypentan-1-ol (PubChem CID 15789468) has the molecular formula C6H8F6O2 and a molecular weight of 226.12 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-5-methoxypentan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-5-methoxypentan-1-ol
PubChem CID15789468
Molecular FormulaC6H8F6O2
Molecular Weight226.12 g/mol
Exact Mass226.04
IUPAC Name2,2,3,3,4,4-hexafluoro-5-methoxypentan-1-ol
SMILESCOCC(F)(F)C(F)(F)C(F)(F)CO
InChIInChI=1S/C6H8F6O2/c1-14-3-5(9,10)6(11,12)4(7,8)2-13/h13H,2-3H2,1H3
InChIKeyIWJABMJSSQDCEK-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': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3,4,4-hexafluoro-5-methoxypentan-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 2,2,3,3,4,4-hexafluoro-5-methoxypentan-1-ol?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-5-methoxypentan-1-ol (CID 15789468) is 2,2,3,3,4,4-hexafluoro-5-methoxypentan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-5-methoxypentan-1-ol?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-5-methoxypentan-1-ol is COCC(F)(F)C(F)(F)C(F)(F)CO.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-5-methoxypentan-1-ol?
The InChIKey is IWJABMJSSQDCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O2/c1-14-3-5(9,10)6(11,12)4(7,8)2-13/h13H,2-3H2,1H3.
What are the key properties of 2,2,3,3,4,4-hexafluoro-5-methoxypentan-1-ol?
2,2,3,3,4,4-hexafluoro-5-methoxypentan-1-ol 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 2,2,3,3,4,4-hexafluoro-5-methoxypentan-1-ol is sourced from PubChem (CID 15789468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).