N-tert-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C6H9F6NO4S2 — CID 126608079

IUPACN-tert-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCC(C)(C)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H9F6NO4S2/c1-4(2,3)13(18(14,15)5(7,8)9)19(16,17)6(10,11)12/h1-3H3
InChIKeyFXGNOCZTXQNTSS-UHFFFAOYSA-N
MW337.26 g/mol
LogP1.79
Rot. Bonds2

About N-tert-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

N-tert-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 126608079) has the molecular formula C6H9F6NO4S2 and a molecular weight of 337.26 g/mol. Its IUPAC name is N-tert-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID126608079
Molecular FormulaC6H9F6NO4S2
Molecular Weight337.26 g/mol
Exact Mass336.99
IUPAC NameN-tert-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCC(C)(C)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H9F6NO4S2/c1-4(2,3)13(18(14,15)5(7,8)9)19(16,17)6(10,11)12/h1-3H3
InChIKeyFXGNOCZTXQNTSS-UHFFFAOYSA-N
XLogP1.79
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoro-N-(2-methylpropyl)-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87353297
N-butan-2-yl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 126606279
1,1,1-trifluoro-N-(2-methylbutan-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 156348063
1,1,1-trifluoro-N-(1-methylcyclopropyl)-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 156348487
1,1,1-trifluoro-N-(3-methylpentan-3-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 162614775
N-tert-butyl-N,1,1,1-tetrafluoromethanesulfonamide
CID 15507528
dioxouranium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 162598558
samarium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 162598559
1,1,1-trifluoro-N-pentan-3-yl-N-(trifluoromethylsulfonyl)methanesulfonamide;zinc;hydrate
CID 162614774

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of N-tert-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 126608079) is N-tert-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for N-tert-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for N-tert-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CC(C)(C)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-tert-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is FXGNOCZTXQNTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6NO4S2/c1-4(2,3)13(18(14,15)5(7,8)9)19(16,17)6(10,11)12/h1-3H3.
What are the key properties of N-tert-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
N-tert-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 337.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 126608079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).