1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine

• ChemBase ID: 283113
• Molecular Formular: C11H12F3N
• Molecular Mass: 215.2148896
• Monoisotopic Mass: 215.09218405
• SMILES: C(c1cc(C2(N)CCC2)ccc1)(F)(F)F
• Canonical SMILES: NC1(CCC1)c1cccc(c1)C(F)(F)F
• InChI: InChI=1S/C11H12F3N/c12-11(13,14)9-4-1-3-8(7-9)10(15)5-2-6-10/h1,3-4,7H,2,5-6,15H2
• InChIKey: YRMXYMIMWFKYSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
• IUPAC Traditional name: 1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
• Synonyms: 1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine

Database IDs

• MDL Number: MFCD09910048
• PubChem SID: 180668644
• PubChem CID: 43146582

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.19427599
• LogD (pH = 7.4): 0.5755521
• Log P: 2.8107646
• Molar Refractivity: 52.2069 cm^3
• Polarizability: 19.521362 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.88

Product Information

• Purity: 95%