1-Amino-3,3-difluorocyclobutanecarboxylic acid

1-Amino-3,3-difluorocyclobutanecarboxylic acid structure
CAS Number1225532-86-4
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
AppearanceOff-white to light brown solid
Melting Point>220 °C
SMILESNC1(C(=O)O)CC(F)(F)C1
InChIKeyKSCVQJSNYDFHOT-UHFFFAOYSA-N
Description1-Amino-3,3-difluorocyclobutanecarboxylic acid, a gem-difluoro α-amino acid. The gem-difluoro enhances metabolic stability and electrophilicity, used in fluoropeptidomimetic synthesis.
ApplicationsPharmaceutical intermediate; fluorinated; amino acid
Hazard ClassSkin Irrit. 2; Eye Irrit. 2A; STOT SE 3 (Resp)
Hazard StatementsH315; H319; H335
Precautionary StatementsP261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501

Calculated / Predicted Properties

Estimated Boiling Point243.4 °C (predicted)
Estimated Density1.47 g/cm³ (predicted)