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

C8H11F5N2O2 — CID 114143204

IUPAC3-methyl-3-(2,2,3,3,3-pentafluoropropanoylamino)butanamide
SMILESCC(C)(CC(N)=O)NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F5N2O2/c1-6(2,3-4(14)16)15-5(17)7(9,10)8(11,12)13/h3H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyLFJOYCJVMVYNJT-UHFFFAOYSA-N
MW262.18 g/mol
LogP0.95
Rot. Bonds4

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

3-methyl-3-(2,2,3,3,3-pentafluoropropanoylamino)butanamide (PubChem CID 114143204) has the molecular formula C8H11F5N2O2 and a molecular weight of 262.18 g/mol. Its IUPAC name is 3-methyl-3-(2,2,3,3,3-pentafluoropropanoylamino)butanamide.

Molecular Properties

Compound Name3-methyl-3-(2,2,3,3,3-pentafluoropropanoylamino)butanamide
PubChem CID114143204
Molecular FormulaC8H11F5N2O2
Molecular Weight262.18 g/mol
Exact Mass262.07
IUPAC Name3-methyl-3-(2,2,3,3,3-pentafluoropropanoylamino)butanamide
SMILESCC(C)(CC(N)=O)NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F5N2O2/c1-6(2,3-4(14)16)15-5(17)7(9,10)8(11,12)13/h3H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyLFJOYCJVMVYNJT-UHFFFAOYSA-N
XLogP0.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 50.95
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-(2,2,3,3,3-pentafluoropropanoylamino)butanamide?
The IUPAC name of 3-methyl-3-(2,2,3,3,3-pentafluoropropanoylamino)butanamide (CID 114143204) is 3-methyl-3-(2,2,3,3,3-pentafluoropropanoylamino)butanamide.
What is the SMILES notation for 3-methyl-3-(2,2,3,3,3-pentafluoropropanoylamino)butanamide?
The canonical SMILES for 3-methyl-3-(2,2,3,3,3-pentafluoropropanoylamino)butanamide is CC(C)(CC(N)=O)NC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-methyl-3-(2,2,3,3,3-pentafluoropropanoylamino)butanamide?
The InChIKey is LFJOYCJVMVYNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5N2O2/c1-6(2,3-4(14)16)15-5(17)7(9,10)8(11,12)13/h3H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 3-methyl-3-(2,2,3,3,3-pentafluoropropanoylamino)butanamide?
3-methyl-3-(2,2,3,3,3-pentafluoropropanoylamino)butanamide has a molecular weight of 262.18 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,2,3,3,3-pentafluoropropanoylamino)butanamide is sourced from PubChem (CID 114143204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).