2-(2-fluorophenyl)-3,3-dimethylbutanoic acid

2-(2-fluorophenyl)-3,3-dimethylbutanoic acid

CAS: 1551243-06-1

Formula: C12H15FO2

SMILES: CC(C)(C)C(C(O)=O)C1=CC=CC=C1F

IUPAC: 2-(2-fluorophenyl)-3,3-dimethylbutanoic acid

InChI: InChI=1/C12H15FO2/c1-12(2,3)10(11(14)15)8-6-4-5-7-9(8)13/h4-7,10H,1-3H3,(H,14,15)

Composition: C (68.55%), H (7.19%), F (9.04%), O (15.22%)

Molar Mass: 210.248

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	210.105607886
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BDIYNXYFIYSWJC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.78
Topological Polar Surface Area	37.3
Polarizability	21.56
Ring Count	1
Rotatable Bond Count	3

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