CC(C(C1=CC(=C(C(=C1)F)F)F)NC(=O)OC(C)(C)C)O
Name: tert-butyl N-[(1R,2R)-2-hydroxy-1-(3,4,5-trifluorophenyl)propyl]carbamate
SMILES: CC(C(C1=CC(=C(C(=C1)F)F)F)NC(=O)OC(C)(C)C)O

Molecular Processing

Molecular formula
C14H18F3NO3
Molecular weight
305.3
Exact mass
305.1239
XLogP
3.05
TPSA
58.56
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
70.11

Supplementary Information

InChIKey: IOZIISKLJMIJGQ-KRTXAFLBSA-N
Synonyme
SCHEMBL3624120IOZIISKLJMIJGQ-KRTXAFLBSA-Ntert-butyl [(1R,2R)-2-hydroxy-1-(3,4,5-trifluorophenyl)propyl]carbamatetert-butyl[(1r,2r)-2-hydroxy-1-(3,4,5-trifluorophenyl)propyl]carbamate[(1R,2R)-2-hydroxy-1-(3,4,5-trifluorophenyl)-propyl]carbamic acid tert-butyl ester[(1R,2R)-2-hydroxy-1-(3,4,5-trifluorophenyl)propyl]-carbamic acid tert-butyl ester[(1R,2R)-2-hydroxy-1-(3,4,5-trifluorophenyl)propyl]carbamic acid tert-butyl ester
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