1,1,1-trifluorobutan-2-one

1,1,1-trifluorobutan-2-one

CAS: 381-88-4

Formula: C4H5F3O

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

IUPAC: 1,1,1-trifluorobutan-2-one

InChI: InChI=1S/C4H5F3O/c1-2-3(8)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	QBVHMPFSDVNFAY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	21.83
Topological Polar Surface Area	17.07
Polarizability	7.91
Ring Count	0
Rotatable Bond Count	2

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