2,2-difluoro-3-hydroxy-3-(thiophen-2-yl)propanoic acid

2,2-difluoro-3-hydroxy-3-(thiophen-2-yl)propanoic acid

CAS: 1204235-07-3

Formula: C7H6F2O3S

SMILES: OC(C1=CC=CS1)C(F)(F)C(O)=O

IUPAC: 2,2-difluoro-3-hydroxy-3-(thiophen-2-yl)propanoic acid

InChI: InChI=1/C7H6F2O3S/c8-7(9,6(11)12)5(10)4-2-1-3-13-4/h1-3,5,10H,(H,11,12)

Composition: C (40.39%), H (2.91%), F (18.25%), O (23.06%), S (15.40%)

Molar Mass: 208.18

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	208.000571553
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DEQCOMAGLJGNSY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.34
Topological Polar Surface Area	57.53
Polarizability	15.54
Ring Count	1
Rotatable Bond Count	3

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