2,2,2-trifluoro-N-propan-2-ylethanesulfonamide

C5H10F3NO2S — CID 59302447

IUPAC2,2,2-trifluoro-N-propan-2-ylethanesulfonamide
SMILESCC(C)NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-4(2)9-12(10,11)3-5(6,7)8/h4,9H,3H2,1-2H3
InChIKeyPEPAJXWUVUCFBE-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.88
Rot. Bonds3

About 2,2,2-trifluoro-N-propan-2-ylethanesulfonamide

2,2,2-trifluoro-N-propan-2-ylethanesulfonamide (PubChem CID 59302447) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-propan-2-ylethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-propan-2-ylethanesulfonamide
PubChem CID59302447
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC Name2,2,2-trifluoro-N-propan-2-ylethanesulfonamide
SMILESCC(C)NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-4(2)9-12(10,11)3-5(6,7)8/h4,9H,3H2,1-2H3
InChIKeyPEPAJXWUVUCFBE-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-propan-2-ylethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-propan-2-ylethanesulfonamide (CID 59302447) is 2,2,2-trifluoro-N-propan-2-ylethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-propan-2-ylethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-propan-2-ylethanesulfonamide is CC(C)NS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-propan-2-ylethanesulfonamide?
The InChIKey is PEPAJXWUVUCFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-4(2)9-12(10,11)3-5(6,7)8/h4,9H,3H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-propan-2-ylethanesulfonamide?
2,2,2-trifluoro-N-propan-2-ylethanesulfonamide has a molecular weight of 205.20 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-propan-2-ylethanesulfonamide is sourced from PubChem (CID 59302447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).