2,2,3,3,4,4-hexafluoro-4-morpholin-4-ylbutan-1-ol

C8H11F6NO2 — CID 89022124

IUPAC2,2,3,3,4,4-hexafluoro-4-morpholin-4-ylbutan-1-ol
SMILESOCC(F)(F)C(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C8H11F6NO2/c9-6(10,5-16)7(11,12)8(13,14)15-1-3-17-4-2-15/h16H,1-5H2
InChIKeyGJKJISCIWZQICA-UHFFFAOYSA-N
MW267.17 g/mol
LogP1.17
Rot. Bonds4

About 2,2,3,3,4,4-hexafluoro-4-morpholin-4-ylbutan-1-ol

2,2,3,3,4,4-hexafluoro-4-morpholin-4-ylbutan-1-ol (PubChem CID 89022124) has the molecular formula C8H11F6NO2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-4-morpholin-4-ylbutan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-4-morpholin-4-ylbutan-1-ol
PubChem CID89022124
Molecular FormulaC8H11F6NO2
Molecular Weight267.17 g/mol
Exact Mass267.07
IUPAC Name2,2,3,3,4,4-hexafluoro-4-morpholin-4-ylbutan-1-ol
SMILESOCC(F)(F)C(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C8H11F6NO2/c9-6(10,5-16)7(11,12)8(13,14)15-1-3-17-4-2-15/h16H,1-5H2
InChIKeyGJKJISCIWZQICA-UHFFFAOYSA-N
XLogP1.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4-hexafluoro-4-morpholin-4-ylbutan-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-4-morpholin-4-ylbutan-1-ol?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-4-morpholin-4-ylbutan-1-ol (CID 89022124) is 2,2,3,3,4,4-hexafluoro-4-morpholin-4-ylbutan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-4-morpholin-4-ylbutan-1-ol?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-4-morpholin-4-ylbutan-1-ol is OCC(F)(F)C(F)(F)C(F)(F)N1CCOCC1.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-4-morpholin-4-ylbutan-1-ol?
The InChIKey is GJKJISCIWZQICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO2/c9-6(10,5-16)7(11,12)8(13,14)15-1-3-17-4-2-15/h16H,1-5H2.
What are the key properties of 2,2,3,3,4,4-hexafluoro-4-morpholin-4-ylbutan-1-ol?
2,2,3,3,4,4-hexafluoro-4-morpholin-4-ylbutan-1-ol has a molecular weight of 267.17 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexafluoro-4-morpholin-4-ylbutan-1-ol is sourced from PubChem (CID 89022124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).