(3S)-4,4,4-trifluoro-3-hydroxybutanoic acid

(3S)-4,4,4-trifluoro-3-hydroxybutanoic acid

CAS: 128899-79-6

Formula: C4H5F3O3

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

IUPAC: (3S)-4,4,4-trifluoro-3-hydroxybutanoic acid

InChI: InChI=1S/C4H5F3O3/c5-4(6,7)2(8)1-3(9)10/h2,8H,1H2,(H,9,10)/t2-/m0/s1

Composition: C (30.39%), H (3.19%), F (36.06%), O (30.36%)

Molar Mass: 158.076

Atom Count: 15

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	158.01907851
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ASQMUMZEQLWJRC-REOHCLBHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	24.17
Topological Polar Surface Area	57.53
Polarizability	9.31
Ring Count	0
Rotatable Bond Count	3

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