(E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene

C12H14F9I — CID 10742421

IUPAC(E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene
SMILESCCC/C(I)=C(/CCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H14F9I/c1-3-5-7(8(22)6-4-2)9(13,14)10(15,16)11(17,18)12(19,20)21/h3-6H2,1-2H3/b8-7+
InChIKeyAIONDVCBFUBPAA-BQYQJAHWSA-N
MW456.13 g/mol
LogP6.74
Rot. Bonds7

About (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene

(E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene (PubChem CID 10742421) has the molecular formula C12H14F9I and a molecular weight of 456.13 g/mol. Its IUPAC name is (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene.

Molecular Properties

Compound Name(E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene
PubChem CID10742421
Molecular FormulaC12H14F9I
Molecular Weight456.13 g/mol
Exact Mass456.00
IUPAC Name(E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene
SMILESCCC/C(I)=C(/CCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H14F9I/c1-3-5-7(8(22)6-4-2)9(13,14)10(15,16)11(17,18)12(19,20)21/h3-6H2,1-2H3/b8-7+
InChIKeyAIONDVCBFUBPAA-BQYQJAHWSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.13
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene?
The IUPAC name of (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene (CID 10742421) is (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene.
What is the SMILES notation for (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene?
The canonical SMILES for (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene is CCC/C(I)=C(/CCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene?
The InChIKey is AIONDVCBFUBPAA-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H14F9I/c1-3-5-7(8(22)6-4-2)9(13,14)10(15,16)11(17,18)12(19,20)21/h3-6H2,1-2H3/b8-7+.
What are the key properties of (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene?
(E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene has a molecular weight of 456.13 g/mol, XLogP of 6.74, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene is sourced from PubChem (CID 10742421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).