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

C12H24F2O6 — CID 15458004

IUPAC1-fluoro-3-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
SMILESOC(CF)COCCOCCOCCOCC(O)CF
InChIInChI=1S/C12H24F2O6/c13-7-11(15)9-19-5-3-17-1-2-18-4-6-20-10-12(16)8-14/h11-12,15-16H,1-10H2
InChIKeyUOGRDJGAEORSGT-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.29
Rot. Bonds15

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

1-fluoro-3-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]propan-2-ol (PubChem CID 15458004) has the molecular formula C12H24F2O6 and a molecular weight of 302.31 g/mol. Its IUPAC name is 1-fluoro-3-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
PubChem CID15458004
Molecular FormulaC12H24F2O6
Molecular Weight302.31 g/mol
Exact Mass302.15
IUPAC Name1-fluoro-3-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
SMILESOC(CF)COCCOCCOCCOCC(O)CF
InChIInChI=1S/C12H24F2O6/c13-7-11(15)9-19-5-3-17-1-2-18-4-6-20-10-12(16)8-14/h11-12,15-16H,1-10H2
InChIKeyUOGRDJGAEORSGT-UHFFFAOYSA-N
XLogP-0.29
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
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 1-fluoro-3-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]propan-2-ol?
The IUPAC name of 1-fluoro-3-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]propan-2-ol (CID 15458004) is 1-fluoro-3-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]propan-2-ol.
What is the SMILES notation for 1-fluoro-3-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]propan-2-ol?
The canonical SMILES for 1-fluoro-3-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]propan-2-ol is OC(CF)COCCOCCOCCOCC(O)CF.
What is the InChIKey of 1-fluoro-3-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]propan-2-ol?
The InChIKey is UOGRDJGAEORSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2O6/c13-7-11(15)9-19-5-3-17-1-2-18-4-6-20-10-12(16)8-14/h11-12,15-16H,1-10H2.
What are the key properties of 1-fluoro-3-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]propan-2-ol?
1-fluoro-3-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]propan-2-ol has a molecular weight of 302.31 g/mol, XLogP of -0.29, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 15458004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).