1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-ylsulfonyl)propane-2-sulfonamide

C6H9F6NO4S2 — CID 87398894

IUPAC1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-ylsulfonyl)propane-2-sulfonamide
SMILESCC(C(F)(F)F)S(=O)(=O)NS(=O)(=O)C(C)C(F)(F)F
InChIInChI=1S/C6H9F6NO4S2/c1-3(5(7,8)9)18(14,15)13-19(16,17)4(2)6(10,11)12/h3-4,13H,1-2H3
InChIKeyNPCZUWHVEBAWTK-UHFFFAOYSA-N
MW337.26 g/mol
LogP1.14
Rot. Bonds4

About 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-ylsulfonyl)propane-2-sulfonamide

1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-ylsulfonyl)propane-2-sulfonamide (PubChem CID 87398894) has the molecular formula C6H9F6NO4S2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-ylsulfonyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-ylsulfonyl)propane-2-sulfonamide
PubChem CID87398894
Molecular FormulaC6H9F6NO4S2
Molecular Weight337.26 g/mol
Exact Mass336.99
IUPAC Name1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-ylsulfonyl)propane-2-sulfonamide
SMILESCC(C(F)(F)F)S(=O)(=O)NS(=O)(=O)C(C)C(F)(F)F
InChIInChI=1S/C6H9F6NO4S2/c1-3(5(7,8)9)18(14,15)13-19(16,17)4(2)6(10,11)12/h3-4,13H,1-2H3
InChIKeyNPCZUWHVEBAWTK-UHFFFAOYSA-N
XLogP1.14
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-ylsulfonyl)propane-2-sulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-ylsulfonyl)propane-2-sulfonamide (CID 87398894) is 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-ylsulfonyl)propane-2-sulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-ylsulfonyl)propane-2-sulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-ylsulfonyl)propane-2-sulfonamide is CC(C(F)(F)F)S(=O)(=O)NS(=O)(=O)C(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-ylsulfonyl)propane-2-sulfonamide?
The InChIKey is NPCZUWHVEBAWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6NO4S2/c1-3(5(7,8)9)18(14,15)13-19(16,17)4(2)6(10,11)12/h3-4,13H,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-ylsulfonyl)propane-2-sulfonamide?
1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-ylsulfonyl)propane-2-sulfonamide has a molecular weight of 337.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-ylsulfonyl)propane-2-sulfonamide is sourced from PubChem (CID 87398894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).