N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide

C7H13F2NO4S — CID 107482411

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H13F2NO4S/c1-15(13,14)5-7(12)10(2-3-11)4-6(8)9/h6,11H,2-5H2,1H3
InChIKeySGRNIWDYOOZQPL-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.88
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide (PubChem CID 107482411) has the molecular formula C7H13F2NO4S and a molecular weight of 245.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide
PubChem CID107482411
Molecular FormulaC7H13F2NO4S
Molecular Weight245.25 g/mol
Exact Mass245.05
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H13F2NO4S/c1-15(13,14)5-7(12)10(2-3-11)4-6(8)9/h6,11H,2-5H2,1H3
InChIKeySGRNIWDYOOZQPL-UHFFFAOYSA-N
XLogP-0.88
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide (CID 107482411) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide?
The InChIKey is SGRNIWDYOOZQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO4S/c1-15(13,14)5-7(12)10(2-3-11)4-6(8)9/h6,11H,2-5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide has a molecular weight of 245.25 g/mol, XLogP of -0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 107482411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).