2-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide

C7H12F3NO3S — CID 154343422

IUPAC2-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide
SMILESCC(C)(C(N)=O)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C7H12F3NO3S/c1-6(2,5(11)12)15(13,14)4-3-7(8,9)10/h3-4H2,1-2H3,(H2,11,12)
InChIKeyVQYPRDBVKCCLEL-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.62
Rot. Bonds4

About 2-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide

2-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide (PubChem CID 154343422) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is 2-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide
PubChem CID154343422
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC Name2-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide
SMILESCC(C)(C(N)=O)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C7H12F3NO3S/c1-6(2,5(11)12)15(13,14)4-3-7(8,9)10/h3-4H2,1-2H3,(H2,11,12)
InChIKeyVQYPRDBVKCCLEL-UHFFFAOYSA-N
XLogP0.62
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide?
The IUPAC name of 2-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide (CID 154343422) is 2-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide.
What is the SMILES notation for 2-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide?
The canonical SMILES for 2-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide is CC(C)(C(N)=O)S(=O)(=O)CCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide?
The InChIKey is VQYPRDBVKCCLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c1-6(2,5(11)12)15(13,14)4-3-7(8,9)10/h3-4H2,1-2H3,(H2,11,12).
What are the key properties of 2-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide?
2-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide has a molecular weight of 247.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide is sourced from PubChem (CID 154343422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).