1-fluoro-3-[2-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol

C16H32F2O8 — CID 11223020

IUPAC1-fluoro-3-[2-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
SMILESOC(CF)COCCOCCOCCOCCOCCOCC(O)CF
InChIInChI=1S/C16H32F2O8/c17-11-15(19)13-25-9-7-23-5-3-21-1-2-22-4-6-24-8-10-26-14-16(20)12-18/h15-16,19-20H,1-14H2
InChIKeyHEYDFQPKJYNGTE-UHFFFAOYSA-N
MW390.42 g/mol
LogP-0.25
Rot. Bonds21

About 1-fluoro-3-[2-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol

1-fluoro-3-[2-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol (PubChem CID 11223020) has the molecular formula C16H32F2O8 and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-fluoro-3-[2-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-[2-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
PubChem CID11223020
Molecular FormulaC16H32F2O8
Molecular Weight390.42 g/mol
Exact Mass390.21
IUPAC Name1-fluoro-3-[2-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
SMILESOC(CF)COCCOCCOCCOCCOCCOCC(O)CF
InChIInChI=1S/C16H32F2O8/c17-11-15(19)13-25-9-7-23-5-3-21-1-2-22-4-6-24-8-10-26-14-16(20)12-18/h15-16,19-20H,1-14H2
InChIKeyHEYDFQPKJYNGTE-UHFFFAOYSA-N
XLogP-0.25
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-fluoro-3-[2-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-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 1-fluoro-3-[2-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol?
The IUPAC name of 1-fluoro-3-[2-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol (CID 11223020) is 1-fluoro-3-[2-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol.
What is the SMILES notation for 1-fluoro-3-[2-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol?
The canonical SMILES for 1-fluoro-3-[2-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol is OC(CF)COCCOCCOCCOCCOCCOCC(O)CF.
What is the InChIKey of 1-fluoro-3-[2-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol?
The InChIKey is HEYDFQPKJYNGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32F2O8/c17-11-15(19)13-25-9-7-23-5-3-21-1-2-22-4-6-24-8-10-26-14-16(20)12-18/h15-16,19-20H,1-14H2.
What are the key properties of 1-fluoro-3-[2-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol?
1-fluoro-3-[2-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol has a molecular weight of 390.42 g/mol, XLogP of -0.25, 21 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[2-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 11223020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).