(4R)-8-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride

• ChemBase ID: 285129
• Molecular Formular: C9H11ClFNO
• Molecular Mass: 203.6411432
• Monoisotopic Mass: 203.05131988
• SMILES: c12c(OCC[C@H]1N)c(F)ccc2.Cl
• Canonical SMILES: N[C@@H]1CCOc2c1cccc2F.Cl
• InChI: InChI=1S/C9H10FNO.ClH/c10-7-3-1-2-6-8(11)4-5-12-9(6)7;/h1-3,8H,4-5,11H2;1H/t8-;/m1./s1
• InChIKey: CDKWCMPLLLFKBM-DDWIOCJRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-8-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride
• IUPAC Traditional name: (4R)-8-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride
• Synonyms: (R)-8-Fluorochroman-4-amine hydrochloride; (4R)-8-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride

Database IDs

• CAS Number: 730980-49-1
• MDL Number: MFCD12912363
• PubChem SID: 180670660
• PubChem CID: 52911303

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8795485
• LogD (pH = 7.4): -0.5856825
• Log P: 1.0322468
• Molar Refractivity: 43.7776 cm^3
• Polarizability: 16.989649 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.241

Product Information

• Purity: 95%; 95+%