2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethanol

C8H11F7O3 — CID 14963557

IUPAC2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethanol
SMILESOCCOCCOCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F7O3/c9-6(10,7(11,12)8(13,14)15)5-18-4-3-17-2-1-16/h16H,1-5H2
InChIKeySDTPOMADHFFMFD-UHFFFAOYSA-N
MW288.16 g/mol
LogP1.84
Rot. Bonds8

About 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethanol

2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethanol (PubChem CID 14963557) has the molecular formula C8H11F7O3 and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethanol
PubChem CID14963557
Molecular FormulaC8H11F7O3
Molecular Weight288.16 g/mol
Exact Mass288.06
IUPAC Name2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethanol
SMILESOCCOCCOCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F7O3/c9-6(10,7(11,12)8(13,14)15)5-18-4-3-17-2-1-16/h16H,1-5H2
InChIKeySDTPOMADHFFMFD-UHFFFAOYSA-N
XLogP1.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethanol (CID 14963557) is 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethanol is OCCOCCOCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethanol?
The InChIKey is SDTPOMADHFFMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F7O3/c9-6(10,7(11,12)8(13,14)15)5-18-4-3-17-2-1-16/h16H,1-5H2.
What are the key properties of 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethanol?
2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethanol has a molecular weight of 288.16 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethanol is sourced from PubChem (CID 14963557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).