CC(C)(C)C1CCN(CC1)CC#CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.Cl
CAS: 81613-60-7
이름: 1-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl]-4-tert-butylpiperidine;hydrochloride
SMILES: CC(C)(C)C1CCN(CC1)CC#CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.Cl

Molecular Processing

Molecular formula
C20H24ClF6N
Molecular weight
427.86
Exact mass
427.1501
XLogP
6.26
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.6
Molar refractivity
99.19

Supplementary Information

InChIKey: NLECRQYFKWPVEQ-UHFFFAOYSA-N
동의어
81613-60-7Flupropadine HydrochloridePiperidine, 1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)-, hydrochlorideDTXSID90231225RefChem:1085461DTXCID90153716279-786-41-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl]-4-tert-butylpiperidine;hydrochlorideEINECS 279-786-4SCHEMBL434587PIPERIDINE, 1-(3-(3,5-BIS(TRIFLUORO-METHYL)PHENYL)-2-PROPYNYL)-4-(1,1-DIMETHYLETHYL)-, HYDROCHLORIDE1-(3,5-bistrifluoromethylphenyl)-3-(4-tert-butylpiperidino)prop-1-yne hydrochloride1-{3-[3,5-Bis(trifluoromethyl)phenyl]prop-2-yn-1-yl}-4-tert-butylpiperidine--hydrogen chloride (1/1)
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