4-(2,4-difluorophenyl)-4-oxobutanoic acid

4-(2,4-difluorophenyl)-4-oxobutanoic acid

CAS: 110931-77-6

Formula: C10H8F2O3

SMILES: OC(=O)CCC(=O)C1=CC=C(F)C=C1F

IUPAC: 4-(2,4-difluorophenyl)-4-oxobutanoic acid

InChI: InChI=1S/C10H8F2O3/c11-6-1-2-7(8(12)5-6)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)

Composition: C (56.08%), H (3.77%), F (17.74%), O (22.41%)

Molar Mass: 214.168

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.044150444
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OKYUHFSCTFNDFB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.79
Topological Polar Surface Area	54.37
Polarizability	17.85
Ring Count	1
Rotatable Bond Count	4

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