ethyl 4,4,4-trifluoro-3-oxobutanoate

ethyl 4,4,4-trifluoro-3-oxobutanoate

CAS: 372-31-6

Formula: C6H7F3O3

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

IUPAC: ethyl 4,4,4-trifluoro-3-oxobutanoate

InChI: InChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3

Composition: C (39.14%), H (3.83%), F (30.96%), O (26.07%)

Molar Mass: 184.114

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	184.034728574
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OCJKUQIPRNZDTK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.07
Topological Polar Surface Area	43.37
Polarizability	12.45
Ring Count	0
Rotatable Bond Count	5

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