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

C10H20F2O5 — CID 15458003

IUPAC1-fluoro-3-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]propan-2-ol
SMILESOC(CF)COCCOCCOCC(O)CF
InChIInChI=1S/C10H20F2O5/c11-5-9(13)7-16-3-1-15-2-4-17-8-10(14)6-12/h9-10,13-14H,1-8H2
InChIKeyVMDUSUYEAIXPDE-UHFFFAOYSA-N
MW258.26 g/mol
LogP-0.30
Rot. Bonds12

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

1-fluoro-3-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]propan-2-ol (PubChem CID 15458003) has the molecular formula C10H20F2O5 and a molecular weight of 258.26 g/mol. Its IUPAC name is 1-fluoro-3-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]propan-2-ol
PubChem CID15458003
Molecular FormulaC10H20F2O5
Molecular Weight258.26 g/mol
Exact Mass258.13
IUPAC Name1-fluoro-3-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]propan-2-ol
SMILESOC(CF)COCCOCCOCC(O)CF
InChIInChI=1S/C10H20F2O5/c11-5-9(13)7-16-3-1-15-2-4-17-8-10(14)6-12/h9-10,13-14H,1-8H2
InChIKeyVMDUSUYEAIXPDE-UHFFFAOYSA-N
XLogP-0.30
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]propan-2-ol?
The IUPAC name of 1-fluoro-3-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]propan-2-ol (CID 15458003) is 1-fluoro-3-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]propan-2-ol.
What is the SMILES notation for 1-fluoro-3-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]propan-2-ol?
The canonical SMILES for 1-fluoro-3-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]propan-2-ol is OC(CF)COCCOCCOCC(O)CF.
What is the InChIKey of 1-fluoro-3-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]propan-2-ol?
The InChIKey is VMDUSUYEAIXPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O5/c11-5-9(13)7-16-3-1-15-2-4-17-8-10(14)6-12/h9-10,13-14H,1-8H2.
What are the key properties of 1-fluoro-3-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]propan-2-ol?
1-fluoro-3-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]propan-2-ol has a molecular weight of 258.26 g/mol, XLogP of -0.30, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 15458003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).