6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

• ChemBase ID: 245424
• Molecular Formular: C10H13ClFN
• Molecular Mass: 201.6683232
• Monoisotopic Mass: 201.07205532
• SMILES: c12c(cc(cc1)F)CCCC2N.Cl
• Canonical SMILES: Fc1ccc2c(c1)CCCC2N.Cl
• InChI: InChI=1S/C10H12FN.ClH/c11-8-4-5-9-7(6-8)2-1-3-10(9)12;/h4-6,10H,1-3,12H2;1H
• InChIKey: NERMSLPTMJQXPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• IUPAC Traditional name: 6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• Synonyms: 6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22201092
• PubChem SID: 164301334
• PubChem CID: 71757709

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7738021
• LogD (pH = 7.4): 0.0049443864
• Log P: 2.230509
• Molar Refractivity: 46.9296 cm^3
• Polarizability: 18.057354 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 237 - 239°C
• Hydrophobicity(logP): 2.21

Product Information

• Purity: 95%