3-methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide

C8H12F4N2O2 — CID 104579564

IUPAC3-methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide
SMILESCC(C)(CC(N)=O)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H12F4N2O2/c1-7(2,3-4(13)15)14-6(16)8(11,12)5(9)10/h5H,3H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyTUUJGAJPTBZTMD-UHFFFAOYSA-N
MW244.19 g/mol
LogP0.66
Rot. Bonds5

About 3-methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide

3-methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide (PubChem CID 104579564) has the molecular formula C8H12F4N2O2 and a molecular weight of 244.19 g/mol. Its IUPAC name is 3-methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide.

Molecular Properties

Compound Name3-methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide
PubChem CID104579564
Molecular FormulaC8H12F4N2O2
Molecular Weight244.19 g/mol
Exact Mass244.08
IUPAC Name3-methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide
SMILESCC(C)(CC(N)=O)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H12F4N2O2/c1-7(2,3-4(13)15)14-6(16)8(11,12)5(9)10/h5H,3H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyTUUJGAJPTBZTMD-UHFFFAOYSA-N
XLogP0.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide?
The IUPAC name of 3-methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide (CID 104579564) is 3-methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide.
What is the SMILES notation for 3-methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide?
The canonical SMILES for 3-methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide is CC(C)(CC(N)=O)NC(=O)C(F)(F)C(F)F.
What is the InChIKey of 3-methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide?
The InChIKey is TUUJGAJPTBZTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4N2O2/c1-7(2,3-4(13)15)14-6(16)8(11,12)5(9)10/h5H,3H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 3-methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide?
3-methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide has a molecular weight of 244.19 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide is sourced from PubChem (CID 104579564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).