名称: 2-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-4-(trifluoromethyl)aniline

SMILES: C1=CC(=C(C=C1C(F)(F)F)CNCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N

Molecular Processing

Molecular formula

C17H13F9N2

Molecular weight

416.29

Exact mass

416.0935

XLogP

5.62

TPSA

38.05

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.294

Molar refractivity

82.85

Supplementary Information

InChIKey: WHGDUXZKWXZARA-UHFFFAOYSA-N

同義語

[2-amino-5-(trifluoromethyl)benzyl][3,5-bis(trifluoromethyl)benzyl]amineSCHEMBL3554357