2,2-difluorocyclobutan-1-amine

• ChemBase ID: 282208
• Molecular Formular: C4H7F2N
• Molecular Mass: 107.1018864
• Monoisotopic Mass: 107.05465567
• SMILES: C1(C(CC1)N)(F)F
• Canonical SMILES: NC1CCC1(F)F
• InChI: InChI=1S/C4H7F2N/c5-4(6)2-1-3(4)7/h3H,1-2,7H2
• InChIKey: UHJMTZCOQFSWEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluorocyclobutan-1-amine
• IUPAC Traditional name: 2,2-difluorocyclobutan-1-amine
• Synonyms: 2,2-difluorocyclobutan-1-amine

Database IDs

• MDL Number: MFCD17480488
• PubChem SID: 180667739
• PubChem CID: 50989724

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7883912
• LogD (pH = 7.4): -0.13159074
• Log P: 0.31204692
• Molar Refractivity: 21.9084 cm^3
• Polarizability: 8.496054 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.535

Product Information

• Purity: 95%