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4,4,4-trifluorobutan-2-one

4,4,4-trifluorobutan-2-one

CAS: 2366-70-3

Formula: C4H5F3O

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

IUPAC: 4,4,4-trifluorobutan-2-one

InChI: InChI=1S/C4H5F3O/c1-3(8)2-4(5,6)7/h2H2,1H3

Composition: C (38.11%), H (4.00%), F (45.21%), O (12.69%)

Molar Mass: 126.078

Atom Count: 13

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 126.02924927
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey BTXXTMOWISPQSJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 21.75
Topological Polar Surface Area 17.07
Polarizability 7.91
Ring Count 0
Rotatable Bond Count 2

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