1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide

C10H17F6NO2S — CID 88916715

IUPAC1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C10H17F6NO2S/c1-6(2)17(7(3)4)20(18,19)10(15,16)9(13,14)8(5,11)12/h6-7H,1-5H3
InChIKeyREURVXMZPCUTLE-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.32
Rot. Bonds6

About 1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide

1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide (PubChem CID 88916715) has the molecular formula C10H17F6NO2S and a molecular weight of 329.31 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide
PubChem CID88916715
Molecular FormulaC10H17F6NO2S
Molecular Weight329.31 g/mol
Exact Mass329.09
IUPAC Name1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C10H17F6NO2S/c1-6(2)17(7(3)4)20(18,19)10(15,16)9(13,14)8(5,11)12/h6-7H,1-5H3
InChIKeyREURVXMZPCUTLE-UHFFFAOYSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide (CID 88916715) is 1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide is CC(C)N(C(C)C)S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide?
The InChIKey is REURVXMZPCUTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F6NO2S/c1-6(2)17(7(3)4)20(18,19)10(15,16)9(13,14)8(5,11)12/h6-7H,1-5H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide?
1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide has a molecular weight of 329.31 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 88916715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).