4'-fluoro-1',2'-dihydrospiro[cyclopentane-1,3'-indole]

• ChemBase ID: 266865
• Molecular Formular: C12H14FN
• Molecular Mass: 191.2446632
• Monoisotopic Mass: 191.11102767
• SMILES: c12C3(CNc1cccc2F)CCCC3
• Canonical SMILES: Fc1cccc2c1C1(CCCC1)CN2
• InChI: InChI=1S/C12H14FN/c13-9-4-3-5-10-11(9)12(8-14-10)6-1-2-7-12/h3-5,14H,1-2,6-8H2
• InChIKey: VUURCLMFZDETJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4'-fluoro-1',2'-dihydrospiro[cyclopentane-1,3'-indole]
• IUPAC Traditional name: 4'-fluoro-1',2'-dihydrospiro[cyclopentane-1,3'-indole]
• Synonyms: 4'-fluoro-1',2'-dihydrospiro[cyclopentane-1,3'-indole]

Database IDs

• MDL Number: MFCD16040078
• PubChem SID: 164322775
• PubChem CID: 47002853

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7880535
• LogD (pH = 7.4): 2.7968857
• Log P: 2.7969995
• Molar Refractivity: 56.0473 cm^3
• Polarizability: 20.630774 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.653

Product Information

• Purity: 95%