2-fluoro-9H-fluoren-9-one

• ChemBase ID: 11938
• Molecular Formular: C13H7FO
• Molecular Mass: 198.1924832
• Monoisotopic Mass: 198.04809306
• SMILES: c12c3c(C(=O)c1cccc2)cc(cc3)F
• Canonical SMILES: Fc1ccc2c(c1)C(=O)c1c2cccc1
• InChI: InChI=1S/C13H7FO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H
• InChIKey: CNCFLCLXJBPMIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-9H-fluoren-9-one
• IUPAC Traditional name: 2-fluorofluoren-9-one
• Synonyms: 2-Fluoro-9-fluorenone; 2-Fluoro-9-fluorenone; 2-Fluoro-9H-fluoren-9-one 98%; 2-Fluoro-9-fluorenone; 2-氟-9-芴酮

Database IDs

• CAS Number: 343-01-1
• MDL Number: MFCD00001150
• PubChem SID: 160975245; 24894981
• PubChem CID: 96016

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2492805
• LogD (pH = 7.4): 3.2492805
• Log P: 3.2492805
• Molar Refractivity: 55.9281 cm^3
• Polarizability: 22.264208 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115-117 °C(lit.); 115-117°C
• Boiling Point: 185 °C/10 mmHg(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant
• German water hazard class: 3
• TSCA Listed: false
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C13H7FO

DETAILS

Sigma Aldrich - F9000

Packaging
1 g in glass bottle