2-(3,4-difluorophenyl)-1,3-dioxolane

• ChemBase ID: 297054
• Molecular Formular: C9H8F2O2
• Molecular Mass: 186.1554264
• Monoisotopic Mass: 186.04923594
• SMILES: c1cc(c(cc1C1OCCO1)F)F
• Canonical SMILES: Fc1ccc(cc1F)C1OCCO1
• InChI: InChI=1S/C9H8F2O2/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2
• InChIKey: JDIKHNSLOQHKLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-difluorophenyl)-1,3-dioxolane
• IUPAC Traditional name: 2-(3,4-difluorophenyl)-1,3-dioxolane
• Synonyms: 3,4-Difluorobenzaldehyde ethylene ketal; 2-(3,4-Difluorophenyl)-1,3-dioxolane; 2-(3,4-二氟苯基)-1,3-二氧戊环

Database IDs

• CAS Number: 773101-62-5
• MDL Number: MFCD06209066
• PubChem SID: 180682585
• PubChem CID: 24721640

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2418041
• LogD (pH = 7.4): 2.2418041
• Log P: 2.2418041
• Molar Refractivity: 41.87 cm^3
• Polarizability: 15.998089 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%