1-(2-fluoroethyl)-1H-indole-3-carbaldehyde

• ChemBase ID: 238962
• Molecular Formular: C11H10FNO
• Molecular Mass: 191.2016032
• Monoisotopic Mass: 191.07464217
• SMILES: c1(cn(c2c1cccc2)CCF)C=O
• Canonical SMILES: FCCn1cc(c2c1cccc2)C=O
• InChI: InChI=1S/C11H10FNO/c12-5-6-13-7-9(8-14)10-3-1-2-4-11(10)13/h1-4,7-8H,5-6H2
• InChIKey: HDQIMQFERLVKFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluoroethyl)-1H-indole-3-carbaldehyde
• IUPAC Traditional name: 1-(2-fluoroethyl)indole-3-carbaldehyde
• Synonyms: 1-(2-fluoroethyl)-1H-indole-3-carbaldehyde

Database IDs

• MDL Number: MFCD22392008
• PubChem SID: 164294872
• PubChem CID: 71756276

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.209176
• LogD (pH = 7.4): 2.209176
• Log P: 2.209176
• Molar Refractivity: 53.2254 cm^3
• Polarizability: 20.708036 Å^3
• Polar Surface Area: 22.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.451

Product Information

• Purity: 95%