1-(2,6-difluorophenyl)-1H-pyrrole

• ChemBase ID: 95573
• Molecular Formular: C10H7F2N
• Molecular Mass: 179.1660864
• Monoisotopic Mass: 179.05465567
• SMILES: n1(c2c(cccc2F)F)cccc1
• Canonical SMILES: Fc1cccc(c1n1cccc1)F
• InChI: InChI=1S/C10H7F2N/c11-8-4-3-5-9(12)10(8)13-6-1-2-7-13/h1-7H
• InChIKey: DJHAIKNLYUBPDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,6-difluorophenyl)-1H-pyrrole
• IUPAC Traditional name: 1-(2,6-difluorophenyl)pyrrole
• Synonyms: 1-(2,6-difluorophenyl)-1H-pyrrole

Database IDs

• MDL Number: MFCD00119675
• PubChem SID: 162082222
• PubChem CID: 2780009

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: 17.643505 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true