7,7,8,8,8-pentafluoro-5-iodooct-1-ene

C8H10F5I — CID 14028190

IUPAC7,7,8,8,8-pentafluoro-5-iodooct-1-ene
SMILESC=CCCC(I)CC(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F5I/c1-2-3-4-6(14)5-7(9,10)8(11,12)13/h2,6H,1,3-5H2
InChIKeyJUSJNHIUNKFUAN-UHFFFAOYSA-N
MW328.06 g/mol
LogP4.34
Rot. Bonds5

About 7,7,8,8,8-pentafluoro-5-iodooct-1-ene

7,7,8,8,8-pentafluoro-5-iodooct-1-ene (PubChem CID 14028190) has the molecular formula C8H10F5I and a molecular weight of 328.06 g/mol. Its IUPAC name is 7,7,8,8,8-pentafluoro-5-iodooct-1-ene.

Molecular Properties

Compound Name7,7,8,8,8-pentafluoro-5-iodooct-1-ene
PubChem CID14028190
Molecular FormulaC8H10F5I
Molecular Weight328.06 g/mol
Exact Mass327.97
IUPAC Name7,7,8,8,8-pentafluoro-5-iodooct-1-ene
SMILESC=CCCC(I)CC(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F5I/c1-2-3-4-6(14)5-7(9,10)8(11,12)13/h2,6H,1,3-5H2
InChIKeyJUSJNHIUNKFUAN-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.06
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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 7,7,8,8,8-pentafluoro-5-iodooct-1-ene?
The IUPAC name of 7,7,8,8,8-pentafluoro-5-iodooct-1-ene (CID 14028190) is 7,7,8,8,8-pentafluoro-5-iodooct-1-ene.
What is the SMILES notation for 7,7,8,8,8-pentafluoro-5-iodooct-1-ene?
The canonical SMILES for 7,7,8,8,8-pentafluoro-5-iodooct-1-ene is C=CCCC(I)CC(F)(F)C(F)(F)F.
What is the InChIKey of 7,7,8,8,8-pentafluoro-5-iodooct-1-ene?
The InChIKey is JUSJNHIUNKFUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5I/c1-2-3-4-6(14)5-7(9,10)8(11,12)13/h2,6H,1,3-5H2.
What are the key properties of 7,7,8,8,8-pentafluoro-5-iodooct-1-ene?
7,7,8,8,8-pentafluoro-5-iodooct-1-ene has a molecular weight of 328.06 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,8,8-pentafluoro-5-iodooct-1-ene is sourced from PubChem (CID 14028190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).