ethyl 2-[4-(trifluoromethyl)phenyl]acetate

ethyl 2-[4-(trifluoromethyl)phenyl]acetate

CAS: 721-63-1

Formula: C11H11F3O2

SMILES: CCOC(=O)CC1=CC=C(C=C1)C(F)(F)F

IUPAC: ethyl 2-[4-(trifluoromethyl)phenyl]acetate

InChI: InChI=1S/C11H11F3O2/c1-2-16-10(15)7-8-3-5-9(6-4-8)11(12,13)14/h3-6H,2,7H2,1H3

Composition: C (56.90%), H (4.78%), F (24.55%), O (13.78%)

Molar Mass: 232.202

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	232.071114083
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	BDVKGYOFECBKDX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.86
Topological Polar Surface Area	26.3
Polarizability	19.64
Ring Count	1
Rotatable Bond Count	5

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