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ethyl 2,2,3,3,4,4-hexafluoro-5-oxopentanoate

ethyl 2,2,3,3,4,4-hexafluoro-5-oxopentanoate

CAS: 18381-53-8

Formula: C7H6F6O3

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

IUPAC: ethyl 2,2,3,3,4,4-hexafluoro-5-oxopentanoate

InChI: InChI=1S/C7H6F6O3/c1-2-16-4(15)6(10,11)7(12,13)5(8,9)3-14/h3H,2H2,1H3

Composition: C (33.35%), H (2.40%), F (45.21%), O (19.04%)

Molar Mass: 252.112

Atom Count: 22

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 252.022113031
Formal Charge 0
FSP3 0.71
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey BEFINKVEHPVITC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.03
Topological Polar Surface Area 43.37
Polarizability 14.31
Ring Count 0
Rotatable Bond Count 6

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