2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-methylpropanoic acid

C8H8F7NO3 — CID 71405380

IUPAC2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-methylpropanoic acid
SMILESCC(C)(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C8H8F7NO3/c1-5(2,4(18)19)16-3(17)6(9,10)7(11,12)8(13,14)15/h1-2H3,(H,16,17)(H,18,19)
InChIKeyGLLTUKTVAHGIDJ-UHFFFAOYSA-N
MW299.14 g/mol
LogP1.80
Rot. Bonds4

About 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-methylpropanoic acid

2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-methylpropanoic acid (PubChem CID 71405380) has the molecular formula C8H8F7NO3 and a molecular weight of 299.14 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-methylpropanoic acid
PubChem CID71405380
Molecular FormulaC8H8F7NO3
Molecular Weight299.14 g/mol
Exact Mass299.04
IUPAC Name2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-methylpropanoic acid
SMILESCC(C)(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C8H8F7NO3/c1-5(2,4(18)19)16-3(17)6(9,10)7(11,12)8(13,14)15/h1-2H3,(H,16,17)(H,18,19)
InChIKeyGLLTUKTVAHGIDJ-UHFFFAOYSA-N
XLogP1.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 51.80
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 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-methylpropanoic acid (CID 71405380) is 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-methylpropanoic acid is CC(C)(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-methylpropanoic acid?
The InChIKey is GLLTUKTVAHGIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F7NO3/c1-5(2,4(18)19)16-3(17)6(9,10)7(11,12)8(13,14)15/h1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-methylpropanoic acid?
2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-methylpropanoic acid has a molecular weight of 299.14 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-methylpropanoic acid is sourced from PubChem (CID 71405380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).