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methyl (3R)-3-acetamido-4-(2,4,5-trifluorophenyl)butanoate

methyl (3R)-3-acetamido-4-(2,4,5-trifluorophenyl)butanoate

CAS: 1234321-83-5

Formula: C13H14F3NO3

SMILES: COC(=O)C[C@@H](CC1=CC(F)=C(F)C=C1F)NC(C)=O

IUPAC: methyl (3R)-3-acetamido-4-(2,4,5-trifluorophenyl)butanoate

InChI: InChI=1S/C13H14F3NO3/c1-7(18)17-9(5-13(19)20-2)3-8-4-11(15)12(16)6-10(8)14/h4,6,9H,3,5H2,1-2H3,(H,17,18)/t9-/m1/s1

Composition: C (53.98%), H (4.88%), F (19.70%), N (4.84%), O (16.59%)

Molar Mass: 289.254

Atom Count: 34

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 289.092577804
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BBGGHUOAAZMMET-SECBINFHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.6
Topological Polar Surface Area 55.4
Polarizability 24.51
Ring Count 1
Rotatable Bond Count 6

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