1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide

C4H8F3NO2S — CID 22908457

IUPAC1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-3(2)8-11(9,10)4(5,6)7/h3,8H,1-2H3
InChIKeyHPEFVOSMROZFGS-UHFFFAOYSA-N
MW191.17 g/mol
LogP0.83
Rot. Bonds2

About 1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide

1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide (PubChem CID 22908457) has the molecular formula C4H8F3NO2S and a molecular weight of 191.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide
PubChem CID22908457
Molecular FormulaC4H8F3NO2S
Molecular Weight191.17 g/mol
Exact Mass191.02
IUPAC Name1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-3(2)8-11(9,10)4(5,6)7/h3,8H,1-2H3
InChIKeyHPEFVOSMROZFGS-UHFFFAOYSA-N
XLogP0.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 50.83
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-propan-2-ylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide (CID 22908457) is 1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide?
The InChIKey is HPEFVOSMROZFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S/c1-3(2)8-11(9,10)4(5,6)7/h3,8H,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide?
1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide has a molecular weight of 191.17 g/mol, XLogP of 0.83, 2 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-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 22908457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).