N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide

C6H11F2NO4S — CID 104857225

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)NCC(F)(F)CO
InChIInChI=1S/C6H11F2NO4S/c1-14(12,13)2-5(11)9-3-6(7,8)4-10/h10H,2-4H2,1H3,(H,9,11)
InChIKeyNGKZWTYLJDEOPI-UHFFFAOYSA-N
MW231.22 g/mol
LogP-1.23
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide (PubChem CID 104857225) has the molecular formula C6H11F2NO4S and a molecular weight of 231.22 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide
PubChem CID104857225
Molecular FormulaC6H11F2NO4S
Molecular Weight231.22 g/mol
Exact Mass231.04
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)NCC(F)(F)CO
InChIInChI=1S/C6H11F2NO4S/c1-14(12,13)2-5(11)9-3-6(7,8)4-10/h10H,2-4H2,1H3,(H,9,11)
InChIKeyNGKZWTYLJDEOPI-UHFFFAOYSA-N
XLogP-1.23
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide (CID 104857225) is N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide?
The InChIKey is NGKZWTYLJDEOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO4S/c1-14(12,13)2-5(11)9-3-6(7,8)4-10/h10H,2-4H2,1H3,(H,9,11).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide has a molecular weight of 231.22 g/mol, XLogP of -1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 104857225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).