2-(aminomethyl)-3,3-difluoro-2-methylbutanoic acid

C6H11F2NO2 — CID 105433279

IUPAC2-(aminomethyl)-3,3-difluoro-2-methylbutanoic acid
SMILESCC(F)(F)C(C)(CN)C(=O)O
InChIInChI=1S/C6H11F2NO2/c1-5(3-9,4(10)11)6(2,7)8/h3,9H2,1-2H3,(H,10,11)
InChIKeyVTFKLCLDDXNWBS-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.69
Rot. Bonds3

About 2-(aminomethyl)-3,3-difluoro-2-methylbutanoic acid

2-(aminomethyl)-3,3-difluoro-2-methylbutanoic acid (PubChem CID 105433279) has the molecular formula C6H11F2NO2 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-(aminomethyl)-3,3-difluoro-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3,3-difluoro-2-methylbutanoic acid
PubChem CID105433279
Molecular FormulaC6H11F2NO2
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC Name2-(aminomethyl)-3,3-difluoro-2-methylbutanoic acid
SMILESCC(F)(F)C(C)(CN)C(=O)O
InChIInChI=1S/C6H11F2NO2/c1-5(3-9,4(10)11)6(2,7)8/h3,9H2,1-2H3,(H,10,11)
InChIKeyVTFKLCLDDXNWBS-UHFFFAOYSA-N
XLogP0.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-3,3-difluoro-2-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3,3-difluoro-2-methylbutanoic acid?
The IUPAC name of 2-(aminomethyl)-3,3-difluoro-2-methylbutanoic acid (CID 105433279) is 2-(aminomethyl)-3,3-difluoro-2-methylbutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3,3-difluoro-2-methylbutanoic acid?
The canonical SMILES for 2-(aminomethyl)-3,3-difluoro-2-methylbutanoic acid is CC(F)(F)C(C)(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3,3-difluoro-2-methylbutanoic acid?
The InChIKey is VTFKLCLDDXNWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-5(3-9,4(10)11)6(2,7)8/h3,9H2,1-2H3,(H,10,11).
What are the key properties of 2-(aminomethyl)-3,3-difluoro-2-methylbutanoic acid?
2-(aminomethyl)-3,3-difluoro-2-methylbutanoic acid has a molecular weight of 167.16 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3,3-difluoro-2-methylbutanoic acid is sourced from PubChem (CID 105433279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).