1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-1-sulfonamide

C6H8F7NO2S — CID 129302366

IUPAC1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F7NO2S/c1-3(2)14-17(15,16)6(12,13)4(7,8)5(9,10)11/h3,14H,1-2H3
InChIKeyRVDDHTGWTHBUCC-UHFFFAOYSA-N
MW291.19 g/mol
LogP2.10
Rot. Bonds4

About 1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-1-sulfonamide

1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 129302366) has the molecular formula C6H8F7NO2S and a molecular weight of 291.19 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-1-sulfonamide
PubChem CID129302366
Molecular FormulaC6H8F7NO2S
Molecular Weight291.19 g/mol
Exact Mass291.02
IUPAC Name1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F7NO2S/c1-3(2)14-17(15,16)6(12,13)4(7,8)5(9,10)11/h3,14H,1-2H3
InChIKeyRVDDHTGWTHBUCC-UHFFFAOYSA-N
XLogP2.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-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 1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-1-sulfonamide (CID 129302366) is 1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-1-sulfonamide is CC(C)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is RVDDHTGWTHBUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F7NO2S/c1-3(2)14-17(15,16)6(12,13)4(7,8)5(9,10)11/h3,14H,1-2H3.
What are the key properties of 1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-1-sulfonamide?
1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 291.19 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 129302366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).