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

C14H29FO6 — CID 134254472

IUPAC4-fluoro-3-[2-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]ethoxy]-3-methylbutan-1-ol
SMILESCC(CF)(CCO)OCCOCC(O)COCCCCO
InChIInChI=1S/C14H29FO6/c1-14(12-15,4-6-17)21-9-8-20-11-13(18)10-19-7-3-2-5-16/h13,16-18H,2-12H2,1H3
InChIKeyZCXUOEDRGDWVQM-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.28
Rot. Bonds15

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

4-fluoro-3-[2-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]ethoxy]-3-methylbutan-1-ol (PubChem CID 134254472) has the molecular formula C14H29FO6 and a molecular weight of 312.38 g/mol. Its IUPAC name is 4-fluoro-3-[2-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]ethoxy]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-fluoro-3-[2-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]ethoxy]-3-methylbutan-1-ol
PubChem CID134254472
Molecular FormulaC14H29FO6
Molecular Weight312.38 g/mol
Exact Mass312.19
IUPAC Name4-fluoro-3-[2-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]ethoxy]-3-methylbutan-1-ol
SMILESCC(CF)(CCO)OCCOCC(O)COCCCCO
InChIInChI=1S/C14H29FO6/c1-14(12-15,4-6-17)21-9-8-20-11-13(18)10-19-7-3-2-5-16/h13,16-18H,2-12H2,1H3
InChIKeyZCXUOEDRGDWVQM-UHFFFAOYSA-N
XLogP0.28
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-fluoro-3-[2-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]ethoxy]-3-methylbutan-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 4-fluoro-3-[2-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]ethoxy]-3-methylbutan-1-ol?
The IUPAC name of 4-fluoro-3-[2-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]ethoxy]-3-methylbutan-1-ol (CID 134254472) is 4-fluoro-3-[2-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]ethoxy]-3-methylbutan-1-ol.
What is the SMILES notation for 4-fluoro-3-[2-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]ethoxy]-3-methylbutan-1-ol?
The canonical SMILES for 4-fluoro-3-[2-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]ethoxy]-3-methylbutan-1-ol is CC(CF)(CCO)OCCOCC(O)COCCCCO.
What is the InChIKey of 4-fluoro-3-[2-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]ethoxy]-3-methylbutan-1-ol?
The InChIKey is ZCXUOEDRGDWVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FO6/c1-14(12-15,4-6-17)21-9-8-20-11-13(18)10-19-7-3-2-5-16/h13,16-18H,2-12H2,1H3.
What are the key properties of 4-fluoro-3-[2-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]ethoxy]-3-methylbutan-1-ol?
4-fluoro-3-[2-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]ethoxy]-3-methylbutan-1-ol has a molecular weight of 312.38 g/mol, XLogP of 0.28, 15 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-(4-hydroxybutoxy)propoxy]ethoxy]-3-methylbutan-1-ol is sourced from PubChem (CID 134254472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).