4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid

4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid

CAS: 1547-36-0

Formula: C5H4F6O3

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

IUPAC: 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid

InChI: InChI=1S/C5H4F6O3/c6-4(7,8)3(14,1-2(12)13)5(9,10)11/h14H,1H2,(H,12,13)

Composition: C (26.56%), H (1.78%), F (50.42%), O (21.23%)

Molar Mass: 226.074

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	226.006462967
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NOHJBOWARMTILE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	29.51
Topological Polar Surface Area	57.53
Polarizability	11.29
Ring Count	0
Rotatable Bond Count	4

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