ethyl 2-(trifluoromethyl)-1,3-oxazole-4-carboxylate

ethyl 2-(trifluoromethyl)-1,3-oxazole-4-carboxylate

CAS: 1060815-99-7

Formula: C7H6F3NO3

SMILES: CCOC(=O)C1=COC(=N1)C(F)(F)F

IUPAC: ethyl 2-(trifluoromethyl)-1,3-oxazole-4-carboxylate

InChI: InChI=1S/C7H6F3NO3/c1-2-13-5(12)4-3-14-6(11-4)7(8,9)10/h3H,2H2,1H3

Composition: C (40.20%), H (2.89%), F (27.25%), N (6.70%), O (22.95%)

Molar Mass: 209.124

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.029977546
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WLTXOCFHAKNLBB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.62
Topological Polar Surface Area	52.33
Polarizability	14.28
Ring Count	1
Rotatable Bond Count	4

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