3,3,3-trifluoro-2-hydroxy-2-phenylpropanoic acid

3,3,3-trifluoro-2-hydroxy-2-phenylpropanoic acid

CAS: 55519-22-7

Formula: C9H7F3O3

SMILES: OC(=O)C(O)(C1=CC=CC=C1)C(F)(F)F

IUPAC: 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoic acid

InChI: InChI=1/C9H7F3O3/c10-9(11,12)8(15,7(13)14)6-4-2-1-3-5-6/h1-5,15H,(H,13,14)

Composition: C (49.10%), H (3.21%), F (25.89%), O (21.80%)

Molar Mass: 220.147

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	220.034728574
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XXYXYHGJDXFJPH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.12
Topological Polar Surface Area	57.53
Polarizability	16.58
Ring Count	1
Rotatable Bond Count	3

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