5'-fluoro-1',2'-dihydrospiro[cyclopropane-1,3'-indole]

• ChemBase ID: 68278
• Molecular Formular: C10H10FN
• Molecular Mass: 163.1915032
• Monoisotopic Mass: 163.07972755
• SMILES: C12(CC1)CNc1c2cc(cc1)F
• Canonical SMILES: Fc1ccc2c(c1)C1(CC1)CN2
• InChI: InChI=1S/C10H10FN/c11-7-1-2-9-8(5-7)10(3-4-10)6-12-9/h1-2,5,12H,3-4,6H2
• InChIKey: HJFDQUZANMKTQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5'-fluoro-1',2'-dihydrospiro[cyclopropane-1,3'-indole]
• IUPAC Traditional name: 5'-fluoro-1',2'-dihydrospiro[cyclopropane-1,3'-indole]
• Synonyms: 5'-Fluorospiro[cyclopropane-1,3'-indoline]

Database IDs

• CAS Number: 913179-36-9
• MDL Number: MFCD13195330
• PubChem SID: 162034010
• PubChem CID: 53487981

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8685455
• LogD (pH = 7.4): 1.9073442
• Log P: 1.9078622
• Molar Refractivity: 46.8453 cm^3
• Polarizability: 16.953314 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%