ethyl 5,5,5-trifluoro-3-oxopentanoate

ethyl 5,5,5-trifluoro-3-oxopentanoate

CAS: 127146-29-6

Formula: C7H9F3O3

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

IUPAC: ethyl 5,5,5-trifluoro-3-oxopentanoate

InChI: InChI=1S/C7H9F3O3/c1-2-13-6(12)3-5(11)4-7(8,9)10/h2-4H2,1H3

Composition: C (42.43%), H (4.58%), F (28.76%), O (24.22%)

Molar Mass: 198.141

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	198.050378639
Formal Charge	0
FSP3	0.71
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DMWAVAOXEHOQME-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.62
Topological Polar Surface Area	43.37
Polarizability	14.19
Ring Count	0
Rotatable Bond Count	6

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