이름: 4-[1-benzyl-3-(trifluoromethyl)pyrrolidin-3-yl]-2,6-bis(trifluoromethyl)pyridine
SMILES:
FC(F)(F)c1cc(C2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc(C(F)(F)F)n1Molecular Processing
Molecular formula
C19H15F9N2
Molecular weight
442.32
Exact mass
442.1092
XLogP
5.83
TPSA
16.13
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
88.31
Supplementary Information
InChIKey: HKFPKJOTRCTFKV-UHFFFAOYSA-N
동의어
4-[1-benzyl-3-(trifluoromethyl)pyrrolidin-3-yl]-2,6-bis(trifluoromethyl)pyridineSCHEMBL794386
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