ethyl 3-(trifluoromethyl)benzoate

ethyl 3-(trifluoromethyl)benzoate

CAS: 76783-59-0

Formula: C10H9F3O2

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

IUPAC: ethyl 3-(trifluoromethyl)benzoate

InChI: InChI=1S/C10H9F3O2/c1-2-15-9(14)7-4-3-5-8(6-7)10(11,12)13/h3-6H,2H2,1H3

Composition: C (55.05%), H (4.16%), F (26.12%), O (14.67%)

Molar Mass: 218.175

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.055464019
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	MHNBTKIAHHECCQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.81
Topological Polar Surface Area	26.3
Polarizability	17.82
Ring Count	1
Rotatable Bond Count	4

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