7-[(3,4-difluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 785592
• Molecular Formular: C19H25F5N2
• Molecular Mass: 376.407216
• Monoisotopic Mass: 376.19378991
• SMILES: C(F)(F)(F)CCCN1CC2(CN(Cc3cc(c(cc3)F)F)CCC2)CC1
• Canonical SMILES: Fc1ccc(cc1F)CN1CCCC2(C1)CCN(C2)CCCC(F)(F)F
• InChI: InChI=1S/C19H25F5N2/c20-16-4-3-15(11-17(16)21)12-26-9-1-5-18(14-26)7-10-25(13-18)8-2-6-19(22,23)24/h3-4,11H,1-2,5-10,12-14H2
• InChIKey: HUWLHXSDVNBFHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(3,4-difluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(3,4-difluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(3,4-difluorobenzyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.099950425
• LogD (pH = 7.4): 2.2113411
• Log P: 4.2618895
• Molar Refractivity: 92.472 cm^3
• Polarizability: 34.487362 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.11
• LOG S: -4.0
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 6