7-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride

• ChemBase ID: 288989
• Molecular Formular: C9H11ClFNO
• Molecular Mass: 203.6411432
• Monoisotopic Mass: 203.05131988
• SMILES: NC1CCOc2c1ccc(F)c2.Cl
• Canonical SMILES: Fc1ccc2c(c1)OCCC2N.Cl
• InChI: InChI=1S/C9H10FNO.ClH/c10-6-1-2-7-8(11)3-4-12-9(7)5-6;/h1-2,5,8H,3-4,11H2;1H
• InChIKey: NTOXKACXYHMVON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride
• IUPAC Traditional name: 7-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride
• Synonyms: 7-Fluorochroman-4-amine hydrochloride

Database IDs

• CAS Number: 191608-21-6
• MDL Number: MFCD21603630
• PubChem SID: 180674520
• PubChem CID: 57370976

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8975456
• LogD (pH = 7.4): -0.659895
• Log P: 1.0322468
• Molar Refractivity: 43.7776 cm^3
• Polarizability: 16.989326 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%