(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid

(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid

CAS: 17257-71-5

Formula: C10H9F3O3

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

IUPAC: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid

InChI: InChI=1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m0/s1

Composition: C (51.29%), H (3.87%), F (24.34%), O (20.50%)

Molar Mass: 234.174

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	234.050378639
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JJYKJUXBWFATTE-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.87
Topological Polar Surface Area	46.53
Polarizability	18.42
Ring Count	1
Rotatable Bond Count	4

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