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

C8H16F2O4 — CID 11206658

IUPAC1-fluoro-3-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]propan-2-ol
SMILESOC(CF)COCCOCC(O)CF
InChIInChI=1S/C8H16F2O4/c9-3-7(11)5-13-1-2-14-6-8(12)4-10/h7-8,11-12H,1-6H2
InChIKeyPJUKUQYEQGLUQK-UHFFFAOYSA-N
MW214.21 g/mol
LogP-0.32
Rot. Bonds9

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

1-fluoro-3-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]propan-2-ol (PubChem CID 11206658) has the molecular formula C8H16F2O4 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-fluoro-3-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]propan-2-ol
PubChem CID11206658
Molecular FormulaC8H16F2O4
Molecular Weight214.21 g/mol
Exact Mass214.10
IUPAC Name1-fluoro-3-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]propan-2-ol
SMILESOC(CF)COCCOCC(O)CF
InChIInChI=1S/C8H16F2O4/c9-3-7(11)5-13-1-2-14-6-8(12)4-10/h7-8,11-12H,1-6H2
InChIKeyPJUKUQYEQGLUQK-UHFFFAOYSA-N
XLogP-0.32
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-fluoro-2-hydroxypropoxy)ethoxy]propan-2-ol?
The IUPAC name of 1-fluoro-3-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]propan-2-ol (CID 11206658) is 1-fluoro-3-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]propan-2-ol.
What is the SMILES notation for 1-fluoro-3-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]propan-2-ol?
The canonical SMILES for 1-fluoro-3-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]propan-2-ol is OC(CF)COCCOCC(O)CF.
What is the InChIKey of 1-fluoro-3-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]propan-2-ol?
The InChIKey is PJUKUQYEQGLUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O4/c9-3-7(11)5-13-1-2-14-6-8(12)4-10/h7-8,11-12H,1-6H2.
What are the key properties of 1-fluoro-3-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]propan-2-ol?
1-fluoro-3-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]propan-2-ol has a molecular weight of 214.21 g/mol, XLogP of -0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]propan-2-ol is sourced from PubChem (CID 11206658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).