2-(2,2-difluoropropanoylamino)-2-methylbutanoic acid

C8H13F2NO3 — CID 167170355

IUPAC2-(2,2-difluoropropanoylamino)-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)C(C)(F)F)C(=O)O
InChIInChI=1S/C8H13F2NO3/c1-4-7(2,6(13)14)11-5(12)8(3,9)10/h4H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyXNOUDLUISOESMC-UHFFFAOYSA-N
MW209.19 g/mol
LogP1.01
Rot. Bonds4

About 2-(2,2-difluoropropanoylamino)-2-methylbutanoic acid

2-(2,2-difluoropropanoylamino)-2-methylbutanoic acid (PubChem CID 167170355) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 2-(2,2-difluoropropanoylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(2,2-difluoropropanoylamino)-2-methylbutanoic acid
PubChem CID167170355
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name2-(2,2-difluoropropanoylamino)-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)C(C)(F)F)C(=O)O
InChIInChI=1S/C8H13F2NO3/c1-4-7(2,6(13)14)11-5(12)8(3,9)10/h4H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyXNOUDLUISOESMC-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropanoylamino)-2-methylbutanoic acid?
The IUPAC name of 2-(2,2-difluoropropanoylamino)-2-methylbutanoic acid (CID 167170355) is 2-(2,2-difluoropropanoylamino)-2-methylbutanoic acid.
What is the SMILES notation for 2-(2,2-difluoropropanoylamino)-2-methylbutanoic acid?
The canonical SMILES for 2-(2,2-difluoropropanoylamino)-2-methylbutanoic acid is CCC(C)(NC(=O)C(C)(F)F)C(=O)O.
What is the InChIKey of 2-(2,2-difluoropropanoylamino)-2-methylbutanoic acid?
The InChIKey is XNOUDLUISOESMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-4-7(2,6(13)14)11-5(12)8(3,9)10/h4H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-(2,2-difluoropropanoylamino)-2-methylbutanoic acid?
2-(2,2-difluoropropanoylamino)-2-methylbutanoic acid has a molecular weight of 209.19 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropanoylamino)-2-methylbutanoic acid is sourced from PubChem (CID 167170355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).