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

C7H12F3NO4S — CID 103915469

IUPACN-(2-hydroxyethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCS(=O)(=O)CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c1-16(14,15)4-6(13)11(2-3-12)5-7(8,9)10/h12H,2-5H2,1H3
InChIKeyIEVHYBPMUUHNBK-UHFFFAOYSA-N
MW263.24 g/mol
LogP-0.59
Rot. Bonds5

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

N-(2-hydroxyethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103915469) has the molecular formula C7H12F3NO4S and a molecular weight of 263.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103915469
Molecular FormulaC7H12F3NO4S
Molecular Weight263.24 g/mol
Exact Mass263.04
IUPAC NameN-(2-hydroxyethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCS(=O)(=O)CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c1-16(14,15)4-6(13)11(2-3-12)5-7(8,9)10/h12H,2-5H2,1H3
InChIKeyIEVHYBPMUUHNBK-UHFFFAOYSA-N
XLogP-0.59
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide (CID 103915469) is N-(2-hydroxyethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide is CS(=O)(=O)CC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IEVHYBPMUUHNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4S/c1-16(14,15)4-6(13)11(2-3-12)5-7(8,9)10/h12H,2-5H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-hydroxyethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 263.24 g/mol, XLogP of -0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103915469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).