1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide

C6H12F3NO2S — CID 162621177

IUPAC1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-4-5(2,3)10-13(11,12)6(7,8)9/h10H,4H2,1-3H3
InChIKeyQBSOGGJNTJJUJP-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.61
Rot. Bonds3

About 1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide

1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide (PubChem CID 162621177) has the molecular formula C6H12F3NO2S and a molecular weight of 219.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide
PubChem CID162621177
Molecular FormulaC6H12F3NO2S
Molecular Weight219.23 g/mol
Exact Mass219.05
IUPAC Name1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-4-5(2,3)10-13(11,12)6(7,8)9/h10H,4H2,1-3H3
InChIKeyQBSOGGJNTJJUJP-UHFFFAOYSA-N
XLogP1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide (CID 162621177) is 1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide is CCC(C)(C)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide?
The InChIKey is QBSOGGJNTJJUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2S/c1-4-5(2,3)10-13(11,12)6(7,8)9/h10H,4H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide?
1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide has a molecular weight of 219.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 162621177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).