N-(1,1-difluoro-3-hydroxy-3-methylsulfonylpropan-2-yl)acetamide

C6H11F2NO4S — CID 174630018

IUPACN-(1,1-difluoro-3-hydroxy-3-methylsulfonylpropan-2-yl)acetamide
SMILESCC(=O)NC(C(F)F)C(O)S(C)(=O)=O
InChIInChI=1S/C6H11F2NO4S/c1-3(10)9-4(5(7)8)6(11)14(2,12)13/h4-6,11H,1-2H3,(H,9,10)
InChIKeyVEKKQSLKJGGCTP-UHFFFAOYSA-N
MW231.22 g/mol
LogP-0.88
Rot. Bonds4

About N-(1,1-difluoro-3-hydroxy-3-methylsulfonylpropan-2-yl)acetamide

N-(1,1-difluoro-3-hydroxy-3-methylsulfonylpropan-2-yl)acetamide (PubChem CID 174630018) has the molecular formula C6H11F2NO4S and a molecular weight of 231.22 g/mol. Its IUPAC name is N-(1,1-difluoro-3-hydroxy-3-methylsulfonylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-difluoro-3-hydroxy-3-methylsulfonylpropan-2-yl)acetamide
PubChem CID174630018
Molecular FormulaC6H11F2NO4S
Molecular Weight231.22 g/mol
Exact Mass231.04
IUPAC NameN-(1,1-difluoro-3-hydroxy-3-methylsulfonylpropan-2-yl)acetamide
SMILESCC(=O)NC(C(F)F)C(O)S(C)(=O)=O
InChIInChI=1S/C6H11F2NO4S/c1-3(10)9-4(5(7)8)6(11)14(2,12)13/h4-6,11H,1-2H3,(H,9,10)
InChIKeyVEKKQSLKJGGCTP-UHFFFAOYSA-N
XLogP-0.88
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoro-3-hydroxy-3-methylsulfonylpropan-2-yl)acetamide?
The IUPAC name of N-(1,1-difluoro-3-hydroxy-3-methylsulfonylpropan-2-yl)acetamide (CID 174630018) is N-(1,1-difluoro-3-hydroxy-3-methylsulfonylpropan-2-yl)acetamide.
What is the SMILES notation for N-(1,1-difluoro-3-hydroxy-3-methylsulfonylpropan-2-yl)acetamide?
The canonical SMILES for N-(1,1-difluoro-3-hydroxy-3-methylsulfonylpropan-2-yl)acetamide is CC(=O)NC(C(F)F)C(O)S(C)(=O)=O.
What is the InChIKey of N-(1,1-difluoro-3-hydroxy-3-methylsulfonylpropan-2-yl)acetamide?
The InChIKey is VEKKQSLKJGGCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO4S/c1-3(10)9-4(5(7)8)6(11)14(2,12)13/h4-6,11H,1-2H3,(H,9,10).
What are the key properties of N-(1,1-difluoro-3-hydroxy-3-methylsulfonylpropan-2-yl)acetamide?
N-(1,1-difluoro-3-hydroxy-3-methylsulfonylpropan-2-yl)acetamide has a molecular weight of 231.22 g/mol, XLogP of -0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoro-3-hydroxy-3-methylsulfonylpropan-2-yl)acetamide is sourced from PubChem (CID 174630018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).