QQQGHCWJZFQLDJ-UHFFFAOYSA-N

C₆H₈F₆S — CID 151631640

About QQQGHCWJZFQLDJ-UHFFFAOYSA-N

QQQGHCWJZFQLDJ-UHFFFAOYSA-N (PubChem CID 151631640) has the molecular formula C₆H₈F₆S and a molecular weight of 226.18 g/mol. Its IUPAC name is 1,1,2,6,6,6-hexafluorohexane-1-thiol.

Molecular Properties

• Compound Name: QQQGHCWJZFQLDJ-UHFFFAOYSA-N
• PubChem CID: 151631640
• Molecular Formula: C₆H₈F₆S
• Molecular Weight: 226.18 g/mol
• Exact Mass: 226.03
• IUPAC Name: 1,1,2,6,6,6-hexafluorohexane-1-thiol
• SMILES: FC(CCCC(F)(F)F)C(F)(F)S
• InChI: InChI=1S/C6H8F6S/c7-4(6(11,12)13)2-1-3-5(8,9)10/h4,13H,1-3H2
• InChIKey: ACMNESKLCFYDLW-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 0.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	226.18
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of QQQGHCWJZFQLDJ-UHFFFAOYSA-N?

The IUPAC name of QQQGHCWJZFQLDJ-UHFFFAOYSA-N (CID 151631640) is 1,1,2,6,6,6-hexafluorohexane-1-thiol.

What is the SMILES notation for QQQGHCWJZFQLDJ-UHFFFAOYSA-N?

The canonical SMILES for QQQGHCWJZFQLDJ-UHFFFAOYSA-N is FC(CCCC(F)(F)F)C(F)(F)S.

What is the InChIKey of QQQGHCWJZFQLDJ-UHFFFAOYSA-N?

The InChIKey is ACMNESKLCFYDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6S/c7-4(6(11,12)13)2-1-3-5(8,9)10/h4,13H,1-3H2.

What are the key properties of QQQGHCWJZFQLDJ-UHFFFAOYSA-N?

QQQGHCWJZFQLDJ-UHFFFAOYSA-N has a molecular weight of 226.18 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for QQQGHCWJZFQLDJ-UHFFFAOYSA-N is sourced from PubChem (CID 151631640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151631640 — identifiers, structure, computed properties (public domain)

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