(E)-4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol

C5H4F5IO — CID 10891974

IUPAC(E)-4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol
SMILESOC/C(I)=C\C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F5IO/c6-4(7,5(8,9)10)1-3(11)2-12/h1,12H,2H2/b3-1+
InChIKeyWINZRPSJXIIXKQ-HNQUOIGGSA-N
MW301.98 g/mol
LogP2.50
Rot. Bonds2

About (E)-4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol

(E)-4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol (PubChem CID 10891974) has the molecular formula C5H4F5IO and a molecular weight of 301.98 g/mol. Its IUPAC name is (E)-4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol.

Molecular Properties

Compound Name(E)-4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol
PubChem CID10891974
Molecular FormulaC5H4F5IO
Molecular Weight301.98 g/mol
Exact Mass301.92
IUPAC Name(E)-4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol
SMILESOC/C(I)=C\C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F5IO/c6-4(7,5(8,9)10)1-3(11)2-12/h1,12H,2H2/b3-1+
InChIKeyWINZRPSJXIIXKQ-HNQUOIGGSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.98
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol?
The IUPAC name of (E)-4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol (CID 10891974) is (E)-4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol.
What is the SMILES notation for (E)-4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol?
The canonical SMILES for (E)-4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol is OC/C(I)=C\C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol?
The InChIKey is WINZRPSJXIIXKQ-HNQUOIGGSA-N. The full InChI is InChI=1S/C5H4F5IO/c6-4(7,5(8,9)10)1-3(11)2-12/h1,12H,2H2/b3-1+.
What are the key properties of (E)-4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol?
(E)-4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol has a molecular weight of 301.98 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol is sourced from PubChem (CID 10891974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).