6-(4,4,4-trifluorobutoxy)hexane-1-sulfonamide

C10H20F3NO3S — CID 82795377

IUPAC6-(4,4,4-trifluorobutoxy)hexane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCOCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO3S/c11-10(12,13)6-5-8-17-7-3-1-2-4-9-18(14,15)16/h1-9H2,(H2,14,15,16)
InChIKeyMBGCOMLESBPHQH-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.19
Rot. Bonds10

About 6-(4,4,4-trifluorobutoxy)hexane-1-sulfonamide

6-(4,4,4-trifluorobutoxy)hexane-1-sulfonamide (PubChem CID 82795377) has the molecular formula C10H20F3NO3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 6-(4,4,4-trifluorobutoxy)hexane-1-sulfonamide.

Molecular Properties

Compound Name6-(4,4,4-trifluorobutoxy)hexane-1-sulfonamide
PubChem CID82795377
Molecular FormulaC10H20F3NO3S
Molecular Weight291.33 g/mol
Exact Mass291.11
IUPAC Name6-(4,4,4-trifluorobutoxy)hexane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCOCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO3S/c11-10(12,13)6-5-8-17-7-3-1-2-4-9-18(14,15)16/h1-9H2,(H2,14,15,16)
InChIKeyMBGCOMLESBPHQH-UHFFFAOYSA-N
XLogP2.19
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
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-(4,4,4-trifluorobutoxy)hexane-1-sulfonamide?
The IUPAC name of 6-(4,4,4-trifluorobutoxy)hexane-1-sulfonamide (CID 82795377) is 6-(4,4,4-trifluorobutoxy)hexane-1-sulfonamide.
What is the SMILES notation for 6-(4,4,4-trifluorobutoxy)hexane-1-sulfonamide?
The canonical SMILES for 6-(4,4,4-trifluorobutoxy)hexane-1-sulfonamide is NS(=O)(=O)CCCCCCOCCCC(F)(F)F.
What is the InChIKey of 6-(4,4,4-trifluorobutoxy)hexane-1-sulfonamide?
The InChIKey is MBGCOMLESBPHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO3S/c11-10(12,13)6-5-8-17-7-3-1-2-4-9-18(14,15)16/h1-9H2,(H2,14,15,16).
What are the key properties of 6-(4,4,4-trifluorobutoxy)hexane-1-sulfonamide?
6-(4,4,4-trifluorobutoxy)hexane-1-sulfonamide has a molecular weight of 291.33 g/mol, XLogP of 2.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4,4-trifluorobutoxy)hexane-1-sulfonamide is sourced from PubChem (CID 82795377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).