Name: (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol;2,2,2-trifluoroacetic acid

SMILES: COC1=CC=CC(=C1)CNCC(C(CC2=CC(=CC(=C2)F)F)N)O.C(=O)(C(F)(F)F)O

Molecular Processing

Molecular formula

C20H23F5N2O4

Molecular weight

450.4

Exact mass

450.1578

XLogP

2.63

TPSA

104.81

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

0.35

Molar refractivity

102.44

Supplementary Information

InChIKey: LCSBZUSJYOALCV-CJRXIRLBSA-N

Synonyme

(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-methoxybenzyl)amino]-2-butanol TrifluoroacetateSCHEMBL6695170