2-(trifluoromethyl)indolizine

• ChemBase ID: 66085
• Molecular Formular: C9H6F3N
• Molecular Mass: 185.1458496
• Monoisotopic Mass: 185.04523386
• SMILES: c1c(cn2ccccc12)C(F)(F)F
• Canonical SMILES: FC(c1cc2n(c1)cccc2)(F)F
• InChI: InChI=1S/C9H6F3N/c10-9(11,12)7-5-8-3-1-2-4-13(8)6-7/h1-6H
• InChIKey: SBULMMIZURQLIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(trifluoromethyl)indolizine
• IUPAC Traditional name: 2-(trifluoromethyl)indolizine
• Synonyms: 2-(Trifluoromethyl)indolizine

Database IDs

• MDL Number: MFCD12546947
• PubChem SID: 162031824
• PubChem CID: 45790702

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4876082
• LogD (pH = 7.4): 2.4876082
• Log P: 2.4876082
• Molar Refractivity: 44.1144 cm^3
• Polarizability: 15.905561 Å^3
• Polar Surface Area: 4.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%