4-fluoro-3-[2-[2-hydroxy-3-(3-hydroxypropoxy)propoxy]ethoxy]-3-methylbutan-1-ol

C13H27FO6 — CID 134254467

IUPAC4-fluoro-3-[2-[2-hydroxy-3-(3-hydroxypropoxy)propoxy]ethoxy]-3-methylbutan-1-ol
SMILESCC(CF)(CCO)OCCOCC(O)COCCCO
InChIInChI=1S/C13H27FO6/c1-13(11-14,3-5-16)20-8-7-19-10-12(17)9-18-6-2-4-15/h12,15-17H,2-11H2,1H3
InChIKeyGFYSJFMVTZJXEB-UHFFFAOYSA-N
MW298.35 g/mol
LogP-0.11
Rot. Bonds14

About 4-fluoro-3-[2-[2-hydroxy-3-(3-hydroxypropoxy)propoxy]ethoxy]-3-methylbutan-1-ol

4-fluoro-3-[2-[2-hydroxy-3-(3-hydroxypropoxy)propoxy]ethoxy]-3-methylbutan-1-ol (PubChem CID 134254467) has the molecular formula C13H27FO6 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-fluoro-3-[2-[2-hydroxy-3-(3-hydroxypropoxy)propoxy]ethoxy]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-fluoro-3-[2-[2-hydroxy-3-(3-hydroxypropoxy)propoxy]ethoxy]-3-methylbutan-1-ol
PubChem CID134254467
Molecular FormulaC13H27FO6
Molecular Weight298.35 g/mol
Exact Mass298.18
IUPAC Name4-fluoro-3-[2-[2-hydroxy-3-(3-hydroxypropoxy)propoxy]ethoxy]-3-methylbutan-1-ol
SMILESCC(CF)(CCO)OCCOCC(O)COCCCO
InChIInChI=1S/C13H27FO6/c1-13(11-14,3-5-16)20-8-7-19-10-12(17)9-18-6-2-4-15/h12,15-17H,2-11H2,1H3
InChIKeyGFYSJFMVTZJXEB-UHFFFAOYSA-N
XLogP-0.11
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[2-[2-hydroxy-3-(3-hydroxypropoxy)propoxy]ethoxy]-3-methylbutan-1-ol?
The IUPAC name of 4-fluoro-3-[2-[2-hydroxy-3-(3-hydroxypropoxy)propoxy]ethoxy]-3-methylbutan-1-ol (CID 134254467) is 4-fluoro-3-[2-[2-hydroxy-3-(3-hydroxypropoxy)propoxy]ethoxy]-3-methylbutan-1-ol.
What is the SMILES notation for 4-fluoro-3-[2-[2-hydroxy-3-(3-hydroxypropoxy)propoxy]ethoxy]-3-methylbutan-1-ol?
The canonical SMILES for 4-fluoro-3-[2-[2-hydroxy-3-(3-hydroxypropoxy)propoxy]ethoxy]-3-methylbutan-1-ol is CC(CF)(CCO)OCCOCC(O)COCCCO.
What is the InChIKey of 4-fluoro-3-[2-[2-hydroxy-3-(3-hydroxypropoxy)propoxy]ethoxy]-3-methylbutan-1-ol?
The InChIKey is GFYSJFMVTZJXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FO6/c1-13(11-14,3-5-16)20-8-7-19-10-12(17)9-18-6-2-4-15/h12,15-17H,2-11H2,1H3.
What are the key properties of 4-fluoro-3-[2-[2-hydroxy-3-(3-hydroxypropoxy)propoxy]ethoxy]-3-methylbutan-1-ol?
4-fluoro-3-[2-[2-hydroxy-3-(3-hydroxypropoxy)propoxy]ethoxy]-3-methylbutan-1-ol has a molecular weight of 298.35 g/mol, XLogP of -0.11, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[2-[2-hydroxy-3-(3-hydroxypropoxy)propoxy]ethoxy]-3-methylbutan-1-ol is sourced from PubChem (CID 134254467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).