4-(1,1,2,2-tetrafluoroethoxy)benzoic acid

4-(1,1,2,2-tetrafluoroethoxy)benzoic acid

CAS: 10009-25-3

Formula: C9H6F4O3

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

IUPAC: 4-(1,1,2,2-tetrafluoroethoxy)benzoic acid

InChI: InChI=1S/C9H6F4O3/c10-8(11)9(12,13)16-6-3-1-5(2-4-6)7(14)15/h1-4,8H,(H,14,15)

Composition: C (45.39%), H (2.54%), F (31.91%), O (20.16%)

Molar Mass: 238.138

Atom Count: 22

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.025306705
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SVGWTILJZWYEMD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.9
Topological Polar Surface Area	46.53
Polarizability	16.57
Ring Count	1
Rotatable Bond Count	4

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