1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide

C16H27F8NO3S — CID 126638195

IUPAC1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
SMILESCCCCCCN(CCCCCC)S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C16H27F8NO3S/c1-3-5-7-9-11-25(12-10-8-6-4-2)29(26,27)16(23,24)15(21,22)28-14(19,20)13(17)18/h13H,3-12H2,1-2H3
InChIKeyAQLOPWVXDYNZPW-UHFFFAOYSA-N
MW465.45 g/mol
LogP5.84
Rot. Bonds16

About 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide

1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide (PubChem CID 126638195) has the molecular formula C16H27F8NO3S and a molecular weight of 465.45 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
PubChem CID126638195
Molecular FormulaC16H27F8NO3S
Molecular Weight465.45 g/mol
Exact Mass465.16
IUPAC Name1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
SMILESCCCCCCN(CCCCCC)S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C16H27F8NO3S/c1-3-5-7-9-11-25(12-10-8-6-4-2)29(26,27)16(23,24)15(21,22)28-14(19,20)13(17)18/h13H,3-12H2,1-2H3
InChIKeyAQLOPWVXDYNZPW-UHFFFAOYSA-N
XLogP5.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.45
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide 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 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The IUPAC name of 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide (CID 126638195) is 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide.
What is the SMILES notation for 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The canonical SMILES for 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide is CCCCCCN(CCCCCC)S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The InChIKey is AQLOPWVXDYNZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F8NO3S/c1-3-5-7-9-11-25(12-10-8-6-4-2)29(26,27)16(23,24)15(21,22)28-14(19,20)13(17)18/h13H,3-12H2,1-2H3.
What are the key properties of 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide has a molecular weight of 465.45 g/mol, XLogP of 5.84, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide is sourced from PubChem (CID 126638195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).