1-chloro-4,6-difluoro-2,3-dihydro-1H-indene

• ChemBase ID: 242348
• Molecular Formular: C9H7ClF2
• Molecular Mass: 188.6016864
• Monoisotopic Mass: 188.02043434
• SMILES: c12c(cc(cc1F)F)C(CC2)Cl
• Canonical SMILES: Fc1cc(F)c2c(c1)C(Cl)CC2
• InChI: InChI=1S/C9H7ClF2/c10-8-2-1-6-7(8)3-5(11)4-9(6)12/h3-4,8H,1-2H2
• InChIKey: WPIODUPHTKMMJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4,6-difluoro-2,3-dihydro-1H-indene
• IUPAC Traditional name: 1-chloro-4,6-difluoro-2,3-dihydro-1H-indene
• Synonyms: 1-chloro-4,6-difluoro-2,3-dihydro-1H-indene

Database IDs

• MDL Number: MFCD11219578
• PubChem SID: 164298258
• PubChem CID: 61384852

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.390116
• LogD (pH = 7.4): 3.390116
• Log P: 3.390116
• Molar Refractivity: 43.9385 cm^3
• Polarizability: 16.326778 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.624

Product Information

• Purity: 95%