6-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-amine

• ChemBase ID: 806719
• Molecular Formular: C10H10F3NO
• Molecular Mass: 217.1877096
• Monoisotopic Mass: 217.07144861
• SMILES: C1(COc2ccc(cc2C1)C(F)(F)F)N
• Canonical SMILES: NC1COc2c(C1)cc(cc2)C(F)(F)F
• InChI: InChI=1S/C10H10F3NO/c11-10(12,13)7-1-2-9-6(3-7)4-8(14)5-15-9/h1-3,8H,4-5,14H2
• InChIKey: YOLYMEYJBNPXMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-amine
• IUPAC Traditional name: 6-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-amine
• Synonyms: 6-(TRIFLUOROMETHYL)CHROMAN-3-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.95111656
• LogD (pH = 7.4): 0.22070102
• Log P: 1.9960948
• Molar Refractivity: 49.4245 cm^3
• Polarizability: 18.400133 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%