5-fluoro-2,3-dihydro-1H-indole

• ChemBase ID: 10222
• Molecular Formular: C8H8FN
• Molecular Mass: 137.1542232
• Monoisotopic Mass: 137.06407748
• SMILES: c1(ccc2c(c1)CCN2)F
• Canonical SMILES: Fc1ccc2c(c1)CCN2
• InChI: InChI=1S/C8H8FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2
• InChIKey: NXQRMQIYCWFDGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2,3-dihydro-1H-indole
• IUPAC Traditional name: 5-fluoro-2,3-dihydro-1H-indole
• Synonyms: 2,3-Dihydro-5-fluoro-1H-indole; 5-Fluoroindoline; 5-Fluoro-2,3-dihydroindole; 5-Fluoroindoline; 5-Fluoro-2,3-dihydro-(1H)-indole; 5-氟吲哚啉

Database IDs

• CAS Number: 2343-22-8
• MDL Number: MFCD00214461
• PubChem SID: 160973529
• PubChem CID: 2774463

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5622646
• LogD (pH = 7.4): 1.6277125
• Log P: 1.6286144
• Molar Refractivity: 39.7778 cm^3
• Polarizability: 14.004186 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 100-102°C/9mm

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%