N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

• ChemBase ID: 54974
• Molecular Formular: C12H14FNO
• Molecular Mass: 207.2440632
• Monoisotopic Mass: 207.10594229
• SMILES: C(=O)(C)NC1Cc2c(CC1)ccc(c2)F
• Canonical SMILES: CC(=O)NC1Cc2cc(F)ccc2CC1
• InChI: InChI=1S/C12H14FNO/c1-8(15)14-12-5-3-9-2-4-11(13)6-10(9)7-12/h2,4,6,12H,3,5,7H2,1H3,(H,14,15)
• InChIKey: HHMZIDJIYLVREV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
• IUPAC Traditional name: N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
• Synonyms: N-(7-Fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-acetamide

Database IDs

• MDL Number: MFCD19442209
• PubChem SID: 162059737
• PubChem CID: 56773440

CALCULATED PROPERTIES

• Molar Refractivity: 56.5274 cm^3
• Polarizability: 21.51661 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.840532
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8934478
• LogD (pH = 7.4): 1.8934482
• Log P: 1.8934482

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 99%