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

C14H28F2O7 — CID 15458005

IUPAC1-fluoro-3-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
SMILESOC(CF)COCCOCCOCCOCCOCC(O)CF
InChIInChI=1S/C14H28F2O7/c15-9-13(17)11-22-7-5-20-3-1-19-2-4-21-6-8-23-12-14(18)10-16/h13-14,17-18H,1-12H2
InChIKeyCYNJRBBTCYUUBV-UHFFFAOYSA-N
MW346.37 g/mol
LogP-0.27
Rot. Bonds18

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

1-fluoro-3-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol (PubChem CID 15458005) has the molecular formula C14H28F2O7 and a molecular weight of 346.37 g/mol. Its IUPAC name is 1-fluoro-3-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
PubChem CID15458005
Molecular FormulaC14H28F2O7
Molecular Weight346.37 g/mol
Exact Mass346.18
IUPAC Name1-fluoro-3-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
SMILESOC(CF)COCCOCCOCCOCCOCC(O)CF
InChIInChI=1S/C14H28F2O7/c15-9-13(17)11-22-7-5-20-3-1-19-2-4-21-6-8-23-12-14(18)10-16/h13-14,17-18H,1-12H2
InChIKeyCYNJRBBTCYUUBV-UHFFFAOYSA-N
XLogP-0.27
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol?
The IUPAC name of 1-fluoro-3-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol (CID 15458005) is 1-fluoro-3-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol.
What is the SMILES notation for 1-fluoro-3-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol?
The canonical SMILES for 1-fluoro-3-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol is OC(CF)COCCOCCOCCOCCOCC(O)CF.
What is the InChIKey of 1-fluoro-3-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol?
The InChIKey is CYNJRBBTCYUUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2O7/c15-9-13(17)11-22-7-5-20-3-1-19-2-4-21-6-8-23-12-14(18)10-16/h13-14,17-18H,1-12H2.
What are the key properties of 1-fluoro-3-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol?
1-fluoro-3-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol has a molecular weight of 346.37 g/mol, XLogP of -0.27, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[2-[2-[2-[2-(3-fluoro-2-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 15458005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).