ethyl 5,5-difluoro-2-hydroxy-4-oxopent-2-enoate

ethyl 5,5-difluoro-2-hydroxy-4-oxopent-2-enoate

CAS: 1245773-18-5

Formula: C7H8F2O4

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

IUPAC: ethyl 5,5-difluoro-2-hydroxy-4-oxopent-2-enoate

InChI: InChI=1S/C7H8F2O4/c1-2-13-7(12)5(11)3-4(10)6(8)9/h3,6,11H,2H2,1H3

Composition: C (43.31%), H (4.15%), F (19.57%), O (32.96%)

Molar Mass: 194.134

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	194.039065064
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IEEMBNICCXYRQG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.78
Topological Polar Surface Area	63.6
Polarizability	14.71
Ring Count	0
Rotatable Bond Count	5

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