Pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane

C₇H₉F₅S — CID 143935419

About Pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane

Pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane (PubChem CID 143935419) has the molecular formula C₇H₉F₅S and a molecular weight of 220.21 g/mol. Its IUPAC name is pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane.

Molecular Properties

• Compound Name: Pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane
• PubChem CID: 143935419
• Molecular Formula: C₇H₉F₅S
• Molecular Weight: 220.21 g/mol
• Exact Mass: 220.03
• IUPAC Name: pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane
• SMILES: C=C(C)/C=C\C(=C)S(F)(F)(F)(F)F
• InChI: InChI=1S/C7H9F5S/c1-6(2)4-5-7(3)13(8,9,10,11)12/h4-5H,1,3H2,2H3/b5-4-
• InChIKey: RIEBRWOUVFEDET-PLNGDYQASA-N
• XLogP: 4.93
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.21
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane?

The IUPAC name of Pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane (CID 143935419) is pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane.

What is the SMILES notation for Pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane?

The canonical SMILES for Pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane is C=C(C)/C=C\C(=C)S(F)(F)(F)(F)F.

What is the InChIKey of Pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane?

The InChIKey is RIEBRWOUVFEDET-PLNGDYQASA-N. The full InChI is InChI=1S/C7H9F5S/c1-6(2)4-5-7(3)13(8,9,10,11)12/h4-5H,1,3H2,2H3/b5-4-.

What are the key properties of Pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane?

Pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane has a molecular weight of 220.21 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane is sourced from PubChem (CID 143935419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143935419 — identifiers, structure, computed properties (public domain)

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