2-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoic acid

C7H11F2NO3 — CID 103513259

IUPAC2-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)C(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C7H11F2NO3/c1-7(2,6(12)13)10(3)5(11)4(8)9/h4H,1-3H3,(H,12,13)
InChIKeyJSFFRDVSZJTRAC-UHFFFAOYSA-N
MW195.16 g/mol
LogP0.57
Rot. Bonds3

About 2-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoic acid

2-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoic acid (PubChem CID 103513259) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is 2-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoic acid
PubChem CID103513259
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name2-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)C(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C7H11F2NO3/c1-7(2,6(12)13)10(3)5(11)4(8)9/h4H,1-3H3,(H,12,13)
InChIKeyJSFFRDVSZJTRAC-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoic acid (CID 103513259) is 2-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoic acid is CN(C(=O)C(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is JSFFRDVSZJTRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3/c1-7(2,6(12)13)10(3)5(11)4(8)9/h4H,1-3H3,(H,12,13).
What are the key properties of 2-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoic acid?
2-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 195.16 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 103513259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).