1-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalene

• ChemBase ID: 242547
• Molecular Formular: C10H10ClF
• Molecular Mass: 184.6378032
• Monoisotopic Mass: 184.04550622
• SMILES: c12c(ccc(c1)F)CCCC2Cl
• Canonical SMILES: Fc1ccc2c(c1)C(Cl)CCC2
• InChI: InChI=1S/C10H10ClF/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h4-6,10H,1-3H2
• InChIKey: MVIYKNIXUJMCHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalene
• IUPAC Traditional name: 1-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalene
• Synonyms: 1-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalene

Database IDs

• MDL Number: MFCD11590904
• PubChem SID: 164298457
• PubChem CID: 62737309

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6919827
• LogD (pH = 7.4): 3.6919827
• Log P: 3.6919827
• Molar Refractivity: 48.3231 cm^3
• Polarizability: 18.375198 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.04

Product Information

• Purity: 95%