(2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanoic acid

(2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanoic acid

CAS: 131123-44-9

Formula: C10H10F3NO3

SMILES: N[C@@H](CC1=CC=C(OC(F)(F)F)C=C1)C(O)=O

IUPAC: (2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanoic acid

InChI: InChI=1S/C10H10F3NO3/c11-10(12,13)17-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1

Composition: C (48.20%), H (4.05%), F (22.87%), N (5.62%), O (19.26%)

Molar Mass: 249.189

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	249.061277675
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	YZXUCQCJZKJMIR-QMMMGPOBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.19
Topological Polar Surface Area	72.55
Polarizability	19.92
Ring Count	1
Rotatable Bond Count	5

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