(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol

C9H13F5O — CID 25215934

IUPAC(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol
SMILESOCCC/C=C/CCC(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F5O/c10-8(11,9(12,13)14)6-4-2-1-3-5-7-15/h1-2,15H,3-7H2/b2-1+
InChIKeyCPTHXGKXEIPCST-OWOJBTEDSA-N
MW232.19 g/mol
LogP3.29
Rot. Bonds6

About (E)-8,8,9,9,9-pentafluoronon-4-en-1-ol

(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol (PubChem CID 25215934) has the molecular formula C9H13F5O and a molecular weight of 232.19 g/mol. Its IUPAC name is (E)-8,8,9,9,9-pentafluoronon-4-en-1-ol.

Molecular Properties

Compound Name(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol
PubChem CID25215934
Molecular FormulaC9H13F5O
Molecular Weight232.19 g/mol
Exact Mass232.09
IUPAC Name(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol
SMILESOCCC/C=C/CCC(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F5O/c10-8(11,9(12,13)14)6-4-2-1-3-5-7-15/h1-2,15H,3-7H2/b2-1+
InChIKeyCPTHXGKXEIPCST-OWOJBTEDSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-8,8,9,9,9-pentafluoronon-4-en-1-ol?
The IUPAC name of (E)-8,8,9,9,9-pentafluoronon-4-en-1-ol (CID 25215934) is (E)-8,8,9,9,9-pentafluoronon-4-en-1-ol.
What is the SMILES notation for (E)-8,8,9,9,9-pentafluoronon-4-en-1-ol?
The canonical SMILES for (E)-8,8,9,9,9-pentafluoronon-4-en-1-ol is OCCC/C=C/CCC(F)(F)C(F)(F)F.
What is the InChIKey of (E)-8,8,9,9,9-pentafluoronon-4-en-1-ol?
The InChIKey is CPTHXGKXEIPCST-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H13F5O/c10-8(11,9(12,13)14)6-4-2-1-3-5-7-15/h1-2,15H,3-7H2/b2-1+.
What are the key properties of (E)-8,8,9,9,9-pentafluoronon-4-en-1-ol?
(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol has a molecular weight of 232.19 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8,8,9,9,9-pentafluoronon-4-en-1-ol is sourced from PubChem (CID 25215934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).