6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonyl chloride

C9H16ClF3O3S — CID 66277491

IUPAC6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonyl chloride
SMILESCC(OCCCCCCS(=O)(=O)Cl)C(F)(F)F
InChIInChI=1S/C9H16ClF3O3S/c1-8(9(11,12)13)16-6-4-2-3-5-7-17(10,14)15/h8H,2-7H2,1H3
InChIKeyJYIZJXLLGPKYSG-UHFFFAOYSA-N
MW296.74 g/mol
LogP3.08
Rot. Bonds8

About 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonyl chloride

6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonyl chloride (PubChem CID 66277491) has the molecular formula C9H16ClF3O3S and a molecular weight of 296.74 g/mol. Its IUPAC name is 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonyl chloride.

Molecular Properties

Compound Name6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonyl chloride
PubChem CID66277491
Molecular FormulaC9H16ClF3O3S
Molecular Weight296.74 g/mol
Exact Mass296.05
IUPAC Name6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonyl chloride
SMILESCC(OCCCCCCS(=O)(=O)Cl)C(F)(F)F
InChIInChI=1S/C9H16ClF3O3S/c1-8(9(11,12)13)16-6-4-2-3-5-7-17(10,14)15/h8H,2-7H2,1H3
InChIKeyJYIZJXLLGPKYSG-UHFFFAOYSA-N
XLogP3.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonyl chloride?
The IUPAC name of 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonyl chloride (CID 66277491) is 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonyl chloride.
What is the SMILES notation for 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonyl chloride?
The canonical SMILES for 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonyl chloride is CC(OCCCCCCS(=O)(=O)Cl)C(F)(F)F.
What is the InChIKey of 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonyl chloride?
The InChIKey is JYIZJXLLGPKYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClF3O3S/c1-8(9(11,12)13)16-6-4-2-3-5-7-17(10,14)15/h8H,2-7H2,1H3.
What are the key properties of 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonyl chloride?
6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonyl chloride has a molecular weight of 296.74 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonyl chloride is sourced from PubChem (CID 66277491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).