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1,1,1,2,2-pentafluoro-6,6-dimethylheptane-3,5-dione

1,1,1,2,2-pentafluoro-6,6-dimethylheptane-3,5-dione

CAS: 2145-68-8

Formula: C9H11F5O2

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

IUPAC: 1,1,1,2,2-pentafluoro-6,6-dimethylheptane-3,5-dione

InChI: InChI=1S/C9H11F5O2/c1-7(2,3)5(15)4-6(16)8(10,11)9(12,13)14/h4H2,1-3H3

Composition: C (43.91%), H (4.50%), F (38.59%), O (13.00%)

Molar Mass: 246.177

Atom Count: 27

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 246.067920409
Formal Charge 0
FSP3 0.78
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FTTQCEGWFGHNDU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.47
Topological Polar Surface Area 34.14
Polarizability 16.87
Ring Count 0
Rotatable Bond Count 5

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