(1R)-1-(3,4-difluorophenyl)ethan-1-amine

• ChemBase ID: 263777
• Molecular Formular: C8H9F2N
• Molecular Mass: 157.1605664
• Monoisotopic Mass: 157.07030573
• SMILES: c1(cc(ccc1F)[C@H](N)C)F
• Canonical SMILES: C[C@H](c1ccc(c(c1)F)F)N
• InChI: InChI=1S/C8H9F2N/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3/t5-/m1/s1
• InChIKey: AESHLRAPTJZOJL-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(3,4-difluorophenyl)ethan-1-amine
• IUPAC Traditional name: (1R)-1-(3,4-difluorophenyl)ethanamine
• Synonyms: (1R)-1-(3,4-difluorophenyl)ethan-1-amine

Database IDs

• MDL Number: MFCD06761760
• PubChem SID: 164319687
• PubChem CID: 7047657

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1881708
• LogD (pH = 7.4): -0.25923046
• Log P: 1.8009932
• Molar Refractivity: 39.383 cm^3
• Polarizability: 14.893085 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.619

Product Information

• Purity: 95%