N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide

C8H15F2NO4S — CID 104862856

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NCC(F)(F)CO)S(C)(=O)=O
InChIInChI=1S/C8H15F2NO4S/c1-7(2,16(3,14)15)6(13)11-4-8(9,10)5-12/h12H,4-5H2,1-3H3,(H,11,13)
InChIKeyBXOHVSOJYDJHRU-UHFFFAOYSA-N
MW259.27 g/mol
LogP-0.45
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide

N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 104862856) has the molecular formula C8H15F2NO4S and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide
PubChem CID104862856
Molecular FormulaC8H15F2NO4S
Molecular Weight259.27 g/mol
Exact Mass259.07
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NCC(F)(F)CO)S(C)(=O)=O
InChIInChI=1S/C8H15F2NO4S/c1-7(2,16(3,14)15)6(13)11-4-8(9,10)5-12/h12H,4-5H2,1-3H3,(H,11,13)
InChIKeyBXOHVSOJYDJHRU-UHFFFAOYSA-N
XLogP-0.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103755817
N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide
CID 103770036
N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide
CID 104857166
N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylacetamide
CID 104857225
N-(2,2-difluoro-3-hydroxypropyl)-3-methylsulfonylpropanamide
CID 104864876
2-Methanesulfonyl-2-methyl-3-(2,2,2-trifluoroacetamido)propanoic acid
CID 165915359
N-(3-hydroxypropyl)-2-methylsulfonylacetamide
CID 61342786
N-(3-hydroxypropyl)-3-methylsulfonylpropanamide
CID 43428092
N-(3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide
CID 64017931
N-(3-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide
CID 64460132
N-(3-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide
CID 65031922
N-(3-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide
CID 65031923

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide (CID 104862856) is N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide is CC(C)(C(=O)NCC(F)(F)CO)S(C)(=O)=O.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is BXOHVSOJYDJHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO4S/c1-7(2,16(3,14)15)6(13)11-4-8(9,10)5-12/h12H,4-5H2,1-3H3,(H,11,13).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 259.27 g/mol, XLogP of -0.45, 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-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 104862856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).