4-fluoro-2-(trifluoromethyl)benzoic acid

4-fluoro-2-(trifluoromethyl)benzoic acid

CAS: 141179-72-8

Formula: C8H4F4O2

SMILES: OC(=O)C1=CC=C(F)C=C1C(F)(F)F

IUPAC: 4-fluoro-2-(trifluoromethyl)benzoic acid

InChI: InChI=1S/C8H4F4O2/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H,13,14)

Composition: C (46.17%), H (1.94%), F (36.52%), O (15.38%)

Molar Mass: 208.112

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.014742021
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JUHPDXOIGLHXTC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.5
Topological Polar Surface Area	37.3
Polarizability	13.98
Ring Count	1
Rotatable Bond Count	2

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