3,4,5-trifluorophenyl (2S)-2-aminopropanoate

3,4,5-trifluorophenyl (2S)-2-aminopropanoate

CAS: 261952-26-5

Formula: C9H8F3NO2

SMILES: C[C@H](N)C(=O)OC1=CC(F)=C(F)C(F)=C1

IUPAC: 3,4,5-trifluorophenyl (2S)-2-aminopropanoate

InChI: InChI=1S/C9H8F3NO2/c1-4(13)9(14)15-5-2-6(10)8(12)7(11)3-5/h2-4H,13H2,1H3/t4-/m0/s1

Composition: C (49.32%), H (3.68%), F (26.01%), N (6.39%), O (14.60%)

Molar Mass: 219.163

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	219.050712991
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IHKJVJRLPRUHMS-BYPYZUCNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.69
Topological Polar Surface Area	52.32
Polarizability	17.46
Ring Count	1
Rotatable Bond Count	3

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