7-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 246583
• Molecular Formular: C10H12FN
• Molecular Mass: 165.2073832
• Monoisotopic Mass: 165.09537761
• SMILES: c12c(ccc(c1)F)CCCC2N
• Canonical SMILES: Fc1ccc2c(c1)C(N)CCC2
• InChI: InChI=1S/C10H12FN/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,10H,1-3,12H2
• InChIKey: ZUUYTHBAQDOFSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: 7-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: 7-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine; 7-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE

Database IDs

• CAS Number: 173998-63-5
• MDL Number: MFCD07373978
• PubChem SID: 164302493
• PubChem CID: 10942798

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.76616126
• LogD (pH = 7.4): 0.09556094
• Log P: 2.230509
• Molar Refractivity: 46.9296 cm^3
• Polarizability: 18.056957 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.21

Product Information

• Purity: 95%; 98%