ethyl 2-[(trifluoromethyl)sulfanyl]acetate

ethyl 2-[(trifluoromethyl)sulfanyl]acetate

CAS: 80783-58-0

Formula: C5H7F3O2S

SMILES: CCOC(=O)CSC(F)(F)F

IUPAC: ethyl 2-[(trifluoromethyl)sulfanyl]acetate

InChI: InChI=1S/C5H7F3O2S/c1-2-10-4(9)3-11-5(6,7)8/h2-3H2,1H3

Composition: C (31.92%), H (3.75%), F (30.29%), O (17.01%), S (17.04%)

Molar Mass: 188.16

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	188.011885128
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	OFWYGBPXVQQCGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.87
Topological Polar Surface Area	26.3
Polarizability	13.48
Ring Count	0
Rotatable Bond Count	5

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