[3-(dimethylamino)-2-fluorophenyl](trifluoromethyl)silanylidene

• ChemBase ID: 99716
• Molecular Formular: C9H9F4NSi
• Molecular Mass: 235.2535728
• Monoisotopic Mass: 235.04403871
• SMILES: [Si](c1cccc(c1F)N(C)C)C(F)(F)F
• Canonical SMILES: CN(c1cccc(c1F)[Si]C(F)(F)F)C
• InChI: InChI=1S/C9H9F4NSi/c1-14(2)6-4-3-5-7(8(6)10)15-9(11,12)13/h3-5H,1-2H3
• InChIKey: PXRMOKFRTNGAMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(dimethylamino)-2-fluorophenyl](trifluoromethyl)silanylidene
• IUPAC Traditional name: [3-(dimethylamino)-2-fluorophenyl](trifluoromethyl)silanylidene
• Synonyms: 1-(N,N-Dimethylamino)-2-fluoro-3-(trifluoromethyl)silylbenzene

Database IDs

• MDL Number: MFCD08458107
• PubChem SID: 162085973
• PubChem CID: 44717701

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7168987
• LogD (pH = 7.4): 3.7168999
• Log P: 3.7169
• Molar Refractivity: 45.895 cm^3
• Polarizability: 18.374025 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant