2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethanol

C6H7F7O2 — CID 14963555

IUPAC2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethanol
SMILESOCCOCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F7O2/c7-4(8,3-15-2-1-14)5(9,10)6(11,12)13/h14H,1-3H2
InChIKeyTZDLXSQBIYOTMV-UHFFFAOYSA-N
MW244.11 g/mol
LogP1.83
Rot. Bonds5

About 2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethanol

2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethanol (PubChem CID 14963555) has the molecular formula C6H7F7O2 and a molecular weight of 244.11 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethanol.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethanol
PubChem CID14963555
Molecular FormulaC6H7F7O2
Molecular Weight244.11 g/mol
Exact Mass244.03
IUPAC Name2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethanol
SMILESOCCOCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F7O2/c7-4(8,3-15-2-1-14)5(9,10)6(11,12)13/h14H,1-3H2
InChIKeyTZDLXSQBIYOTMV-UHFFFAOYSA-N
XLogP1.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,2,3,3,4,4,4-heptafluorobutoxy)ethanol?
The IUPAC name of 2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethanol (CID 14963555) is 2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethanol.
What is the SMILES notation for 2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethanol?
The canonical SMILES for 2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethanol is OCCOCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethanol?
The InChIKey is TZDLXSQBIYOTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O2/c7-4(8,3-15-2-1-14)5(9,10)6(11,12)13/h14H,1-3H2.
What are the key properties of 2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethanol?
2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethanol has a molecular weight of 244.11 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethanol is sourced from PubChem (CID 14963555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).