1-(3,5-difluorophenyl)-1H-pyrrole

• ChemBase ID: 277964
• Molecular Formular: C10H7F2N
• Molecular Mass: 179.1660864
• Monoisotopic Mass: 179.05465567
• SMILES: n1(c2cc(cc(c2)F)F)cccc1
• Canonical SMILES: Fc1cc(F)cc(c1)n1cccc1
• InChI: InChI=1S/C10H7F2N/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h1-7H
• InChIKey: ZFRQRQPGOJWNEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,5-difluorophenyl)-1H-pyrrole
• IUPAC Traditional name: 1-(3,5-difluorophenyl)pyrrole
• Synonyms: 1-(3,5-difluorophenyl)-1H-pyrrole

Database IDs

• MDL Number: MFCD12187263
• PubChem SID: 164333874
• PubChem CID: 19980948

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8408
• LogD (pH = 7.4): 2.8408
• Log P: 2.8408
• Molar Refractivity: 56.2432 cm^3
• Polarizability: 17.633415 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.655

Product Information

• Purity: 95%