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

C9H15F6NO2S — CID 126638182

IUPAC1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)propane-1-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H15F6NO2S/c1-5(2)16(6(3)4)19(17,18)9(14,15)8(12,13)7(10)11/h5-7H,1-4H3
InChIKeyCZHSOIQEKHFYDX-UHFFFAOYSA-N
MW315.28 g/mol
LogP2.93
Rot. Bonds6

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

1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)propane-1-sulfonamide (PubChem CID 126638182) has the molecular formula C9H15F6NO2S and a molecular weight of 315.28 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)propane-1-sulfonamide
PubChem CID126638182
Molecular FormulaC9H15F6NO2S
Molecular Weight315.28 g/mol
Exact Mass315.07
IUPAC Name1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)propane-1-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H15F6NO2S/c1-5(2)16(6(3)4)19(17,18)9(14,15)8(12,13)7(10)11/h5-7H,1-4H3
InChIKeyCZHSOIQEKHFYDX-UHFFFAOYSA-N
XLogP2.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 52.93
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)propane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)propane-1-sulfonamide (CID 126638182) is 1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)propane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)propane-1-sulfonamide is CC(C)N(C(C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)propane-1-sulfonamide?
The InChIKey is CZHSOIQEKHFYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F6NO2S/c1-5(2)16(6(3)4)19(17,18)9(14,15)8(12,13)7(10)11/h5-7H,1-4H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)propane-1-sulfonamide?
1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)propane-1-sulfonamide has a molecular weight of 315.28 g/mol, XLogP of 2.93, 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)propane-1-sulfonamide is sourced from PubChem (CID 126638182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).