N-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide

C7H12F3NO3S — CID 25029677

IUPACN-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide
SMILESCC(=O)N(C)C(CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C7H12F3NO3S/c1-5(12)11(2)6(15(3,13)14)4-7(8,9)10/h6H,4H2,1-3H3
InChIKeyCOGCCXKVZNIXTA-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.79
Rot. Bonds3

About N-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide

N-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide (PubChem CID 25029677) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is N-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide
PubChem CID25029677
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC NameN-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide
SMILESCC(=O)N(C)C(CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C7H12F3NO3S/c1-5(12)11(2)6(15(3,13)14)4-7(8,9)10/h6H,4H2,1-3H3
InChIKeyCOGCCXKVZNIXTA-UHFFFAOYSA-N
XLogP0.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide?
The IUPAC name of N-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide (CID 25029677) is N-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide.
What is the SMILES notation for N-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide?
The canonical SMILES for N-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide is CC(=O)N(C)C(CC(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide?
The InChIKey is COGCCXKVZNIXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c1-5(12)11(2)6(15(3,13)14)4-7(8,9)10/h6H,4H2,1-3H3.
What are the key properties of N-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide?
N-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide has a molecular weight of 247.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide is sourced from PubChem (CID 25029677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).