2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide

C5H8F3NO3S — CID 138562483

IUPAC2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCS(=O)(=O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C5H8F3NO3S/c1-13(11,12)2-4(10)9-3-5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyMSAHPFVNTNIKBN-UHFFFAOYSA-N
MW219.18 g/mol
LogP-0.29
Rot. Bonds3

About 2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide

2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 138562483) has the molecular formula C5H8F3NO3S and a molecular weight of 219.18 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID138562483
Molecular FormulaC5H8F3NO3S
Molecular Weight219.18 g/mol
Exact Mass219.02
IUPAC Name2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCS(=O)(=O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C5H8F3NO3S/c1-13(11,12)2-4(10)9-3-5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyMSAHPFVNTNIKBN-UHFFFAOYSA-N
XLogP-0.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide (CID 138562483) is 2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide is CS(=O)(=O)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MSAHPFVNTNIKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO3S/c1-13(11,12)2-4(10)9-3-5(6,7)8/h2-3H2,1H3,(H,9,10).
What are the key properties of 2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 219.18 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 138562483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).