6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexane-1-sulfonamide

C9H15F6NO3S — CID 102723453

IUPAC6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H15F6NO3S/c10-8(11,12)7(9(13,14)15)19-5-3-1-2-4-6-20(16,17)18/h7H,1-6H2,(H2,16,17,18)
InChIKeyBNGUNCIIAPVIGY-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.35
Rot. Bonds8

About 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexane-1-sulfonamide

6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexane-1-sulfonamide (PubChem CID 102723453) has the molecular formula C9H15F6NO3S and a molecular weight of 331.28 g/mol. Its IUPAC name is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexane-1-sulfonamide.

Molecular Properties

Compound Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexane-1-sulfonamide
PubChem CID102723453
Molecular FormulaC9H15F6NO3S
Molecular Weight331.28 g/mol
Exact Mass331.07
IUPAC Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H15F6NO3S/c10-8(11,12)7(9(13,14)15)19-5-3-1-2-4-6-20(16,17)18/h7H,1-6H2,(H2,16,17,18)
InChIKeyBNGUNCIIAPVIGY-UHFFFAOYSA-N
XLogP2.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexane-1-sulfonamide?
The IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexane-1-sulfonamide (CID 102723453) is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexane-1-sulfonamide.
What is the SMILES notation for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexane-1-sulfonamide?
The canonical SMILES for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexane-1-sulfonamide is NS(=O)(=O)CCCCCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexane-1-sulfonamide?
The InChIKey is BNGUNCIIAPVIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F6NO3S/c10-8(11,12)7(9(13,14)15)19-5-3-1-2-4-6-20(16,17)18/h7H,1-6H2,(H2,16,17,18).
What are the key properties of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexane-1-sulfonamide?
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexane-1-sulfonamide has a molecular weight of 331.28 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexane-1-sulfonamide is sourced from PubChem (CID 102723453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).