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tert-butyl N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]carbamate

tert-butyl N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]carbamate

CAS: 1035490-58-4

Formula: C13H18FNO3

SMILES: CC(C)(C)OC(=O)N[C@H](CO)C1=CC=CC(F)=C1

IUPAC: tert-butyl N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]carbamate

InChI: InChI=1S/C13H18FNO3/c1-13(2,3)18-12(17)15-11(8-16)9-5-4-6-10(14)7-9/h4-7,11,16H,8H2,1-3H3,(H,15,17)/t11-/m1/s1

Composition: C (61.16%), H (7.11%), F (7.44%), N (5.49%), O (18.80%)

Molar Mass: 255.289

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 255.127071607
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey PXLWDYOUWTYABH-LLVKDONJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.58
Topological Polar Surface Area 58.56
Polarizability 25.45
Ring Count 1
Rotatable Bond Count 5

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