(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol

C9H5F13O — CID 14008837

IUPAC(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol
SMILESOC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F13O/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2,23H,3H2/b2-1-
InChIKeyATYZUVRSTXBJLR-UPHRSURJSA-N
MW376.11 g/mol
LogP4.27
Rot. Bonds6

About (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol

(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol (PubChem CID 14008837) has the molecular formula C9H5F13O and a molecular weight of 376.11 g/mol. Its IUPAC name is (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol
PubChem CID14008837
Molecular FormulaC9H5F13O
Molecular Weight376.11 g/mol
Exact Mass376.01
IUPAC Name(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol
SMILESOC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F13O/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2,23H,3H2/b2-1-
InChIKeyATYZUVRSTXBJLR-UPHRSURJSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.11
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol?
The IUPAC name of (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol (CID 14008837) is (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol.
What is the SMILES notation for (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol?
The canonical SMILES for (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol is OC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol?
The InChIKey is ATYZUVRSTXBJLR-UPHRSURJSA-N. The full InChI is InChI=1S/C9H5F13O/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2,23H,3H2/b2-1-.
What are the key properties of (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol?
(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol has a molecular weight of 376.11 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol is sourced from PubChem (CID 14008837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).