4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid

4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid

CAS: 338-03-4

Formula: C5H7F3O3

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

IUPAC: 4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid

InChI: InChI=1/C5H7F3O3/c1-4(11,2-3(9)10)5(6,7)8/h11H,2H2,1H3,(H,9,10)

Composition: C (34.89%), H (4.10%), F (33.12%), O (27.89%)

Molar Mass: 172.103

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	172.034728574
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JCJGOWYCFRASTM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	28.8
Topological Polar Surface Area	57.53
Polarizability	11.02
Ring Count	0
Rotatable Bond Count	3

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