1-(2,5-dichlorophenyl)-4,4,4-trifluorobutane-1,3-dione

1-(2,5-dichlorophenyl)-4,4,4-trifluorobutane-1,3-dione

CAS: 35981-64-7

Formula: C10H5Cl2F3O2

SMILES: FC(F)(F)C(=O)CC(=O)C1=C(Cl)C=CC(Cl)=C1

IUPAC: 1-(2,5-dichlorophenyl)-4,4,4-trifluorobutane-1,3-dione

InChI: InChI=1S/C10H5Cl2F3O2/c11-5-1-2-7(12)6(3-5)8(16)4-9(17)10(13,14)15/h1-3H,4H2

Composition: C (42.14%), H (1.77%), Cl (24.87%), F (20.00%), O (11.23%)

Molar Mass: 285.04

Atom Count: 22

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	283.9618693
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ASSCOENQJVQDRE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.98
Topological Polar Surface Area	34.14
Polarizability	21.27
Ring Count	1
Rotatable Bond Count	4

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