2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol

C9H9F9O2 — CID 87552949

IUPAC2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol
SMILESOCCOC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F9O2/c10-6(11,2-1-4-20-5-3-19)7(12,13)8(14,15)9(16,17)18/h1-2,19H,3-5H2/b2-1-
InChIKeyLKKLYIHWEWOCGJ-UPHRSURJSA-N
MW320.15 g/mol
LogP3.02
Rot. Bonds7

About 2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol

2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol (PubChem CID 87552949) has the molecular formula C9H9F9O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is 2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol.

Molecular Properties

Compound Name2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol
PubChem CID87552949
Molecular FormulaC9H9F9O2
Molecular Weight320.15 g/mol
Exact Mass320.05
IUPAC Name2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol
SMILESOCCOC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F9O2/c10-6(11,2-1-4-20-5-3-19)7(12,13)8(14,15)9(16,17)18/h1-2,19H,3-5H2/b2-1-
InChIKeyLKKLYIHWEWOCGJ-UPHRSURJSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol?
The IUPAC name of 2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol (CID 87552949) is 2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol.
What is the SMILES notation for 2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol?
The canonical SMILES for 2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol is OCCOC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol?
The InChIKey is LKKLYIHWEWOCGJ-UPHRSURJSA-N. The full InChI is InChI=1S/C9H9F9O2/c10-6(11,2-1-4-20-5-3-19)7(12,13)8(14,15)9(16,17)18/h1-2,19H,3-5H2/b2-1-.
What are the key properties of 2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol?
2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol has a molecular weight of 320.15 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol is sourced from PubChem (CID 87552949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).