6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 265875
• Molecular Formular: C11H13F2NO
• Molecular Mass: 213.2238264
• Monoisotopic Mass: 213.09652048
• SMILES: c12c(cc(OC(F)F)cc1)CCCC2N
• Canonical SMILES: FC(Oc1ccc2c(c1)CCCC2N)F
• InChI: InChI=1S/C11H13F2NO/c12-11(13)15-8-4-5-9-7(6-8)2-1-3-10(9)14/h4-6,10-11H,1-3,14H2
• InChIKey: FGDTVOVCPPLKHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: 6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: 6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

Database IDs

• MDL Number: MFCD14705868
• PubChem SID: 164321785
• PubChem CID: 47002535

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.14950234
• LogD (pH = 7.4): 0.6031971
• Log P: 2.8568943
• Molar Refractivity: 53.1853 cm^3
• Polarizability: 20.379711 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.432

Product Information

• Purity: 95%