(1,1-difluoropropyl)benzene

• ChemBase ID: 66137
• Molecular Formular: C9H10F2
• Molecular Mass: 156.1725064
• Monoisotopic Mass: 156.07505676
• SMILES: c1(ccccc1)C(CC)(F)F
• Canonical SMILES: CCC(c1ccccc1)(F)F
• InChI: InChI=1S/C9H10F2/c1-2-9(10,11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
• InChIKey: MLVUDABJOWVGGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,1-difluoropropyl)benzene
• IUPAC Traditional name: (1,1-difluoropropyl)benzene
• Synonyms: (1,1-Difluoropropyl)benzene

Database IDs

• MDL Number: MFCD14525542
• PubChem SID: 162031876
• PubChem CID: 15076545

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2472696
• LogD (pH = 7.4): 3.2472696
• Log P: 3.2472696
• Molar Refractivity: 40.6326 cm^3
• Polarizability: 15.248394 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%