ethyl 3,5-bis(trifluoromethyl)benzoate

ethyl 3,5-bis(trifluoromethyl)benzoate

CAS: 96617-71-9

Formula: C11H8F6O2

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

IUPAC: ethyl 3,5-bis(trifluoromethyl)benzoate

InChI: InChI=1S/C11H8F6O2/c1-2-19-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5H,2H2,1H3

Composition: C (46.17%), H (2.82%), F (39.83%), O (11.18%)

Molar Mass: 286.173

Atom Count: 27

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	286.042848476
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	NBWZJMOEFTYMOF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.78
Topological Polar Surface Area	26.3
Polarizability	19.44
Ring Count	1
Rotatable Bond Count	5

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