1,1-dichloro-2-(chloromethyl)-2-methylcyclopropane

• ChemBase ID: 85326
• Molecular Formular: C5H7Cl3
• Molecular Mass: 173.46808
• Monoisotopic Mass: 171.96133326
• SMILES: ClC1(C(C1)(CCl)C)Cl
• Canonical SMILES: ClCC1(C)CC1(Cl)Cl
• InChI: InChI=1S/C5H7Cl3/c1-4(3-6)2-5(4,7)8/h2-3H2,1H3
• InChIKey: FOWRHXQSCVDBKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichloro-2-(chloromethyl)-2-methylcyclopropane
• IUPAC Traditional name: 1,1-dichloro-2-(chloromethyl)-2-methylcyclopropane
• Synonyms: 1,1-dichloro-2-(chloromethyl)-2-methylcyclopropane

Database IDs

• MDL Number: MFCD01571054
• PubChem SID: 162072442
• PubChem CID: 338453

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7329123
• LogD (pH = 7.4): 2.7329123
• Log P: 2.7329123
• Molar Refractivity: 37.8208 cm^3
• Polarizability: 14.838584 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true