2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C6H10F3NO4S — CID 103726145

IUPAC2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCS(=O)(=O)CC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c1-15(13,14)3-5(12)10-2-4(11)6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12)
InChIKeyZIHNYWIHANJERH-UHFFFAOYSA-N
MW249.21 g/mol
LogP-0.93
Rot. Bonds4

About 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103726145) has the molecular formula C6H10F3NO4S and a molecular weight of 249.21 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103726145
Molecular FormulaC6H10F3NO4S
Molecular Weight249.21 g/mol
Exact Mass249.03
IUPAC Name2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCS(=O)(=O)CC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c1-15(13,14)3-5(12)10-2-4(11)6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12)
InChIKeyZIHNYWIHANJERH-UHFFFAOYSA-N
XLogP-0.93
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103726145) is 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is CS(=O)(=O)CC(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is ZIHNYWIHANJERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO4S/c1-15(13,14)3-5(12)10-2-4(11)6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12).
What are the key properties of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 249.21 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103726145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).