3-fluoro-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 248246
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: c12c(C(CC1N)F)cccc2
• Canonical SMILES: FC1CC(c2c1cccc2)N
• InChI: InChI=1S/C9H10FN/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4,8-9H,5,11H2
• InChIKey: GPDPGXZINRVZAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: 3-fluoro-2,3-dihydro-1H-inden-1-amine
• Synonyms: 3-fluoro-2,3-dihydro-1H-inden-1-amine

Database IDs

• PubChem SID: 164304156
• PubChem CID: 71758424

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7628193
• LogD (pH = 7.4): -0.87166387
• Log P: 1.2307252
• Molar Refractivity: 41.892 cm^3
• Polarizability: 16.316011 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.401

Product Information

• Purity: null%