(E)-4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol

C6H4F7IO — CID 5376505

IUPAC(E)-4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol
SMILESOC/C(I)=C\C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F7IO/c7-4(8,1-3(14)2-15)5(9,10)6(11,12)13/h1,15H,2H2/b3-1+
InChIKeyAAIXLNBYXIVUKR-HNQUOIGGSA-N
MW351.99 g/mol
LogP3.13
Rot. Bonds3

About (E)-4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol

(E)-4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol (PubChem CID 5376505) has the molecular formula C6H4F7IO and a molecular weight of 351.99 g/mol. Its IUPAC name is (E)-4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol.

Molecular Properties

Compound Name(E)-4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol
PubChem CID5376505
Molecular FormulaC6H4F7IO
Molecular Weight351.99 g/mol
Exact Mass351.92
IUPAC Name(E)-4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol
SMILESOC/C(I)=C\C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F7IO/c7-4(8,1-3(14)2-15)5(9,10)6(11,12)13/h1,15H,2H2/b3-1+
InChIKeyAAIXLNBYXIVUKR-HNQUOIGGSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.99
LogP ≤ 53.13
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)-4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol?
The IUPAC name of (E)-4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol (CID 5376505) is (E)-4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol.
What is the SMILES notation for (E)-4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol?
The canonical SMILES for (E)-4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol is OC/C(I)=C\C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol?
The InChIKey is AAIXLNBYXIVUKR-HNQUOIGGSA-N. The full InChI is InChI=1S/C6H4F7IO/c7-4(8,1-3(14)2-15)5(9,10)6(11,12)13/h1,15H,2H2/b3-1+.
What are the key properties of (E)-4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol?
(E)-4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol has a molecular weight of 351.99 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol is sourced from PubChem (CID 5376505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).