(3E)-4-butoxy-1,1,1-trifluorobut-3-en-2-one

(3E)-4-butoxy-1,1,1-trifluorobut-3-en-2-one

CAS: 109317-78-4

Formula: C8H11F3O2

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

IUPAC: (3E)-4-butoxy-1,1,1-trifluorobut-3-en-2-one

InChI: InChI=1S/C8H11F3O2/c1-2-3-5-13-6-4-7(12)8(9,10)11/h4,6H,2-3,5H2,1H3/b6-4+

Composition: C (48.98%), H (5.65%), F (29.05%), O (16.31%)

Molar Mass: 196.169

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	196.071114083
Formal Charge	0
FSP3	0.62
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JMCLSTURONLRIB-GQCTYLIASA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.46
Topological Polar Surface Area	26.3
Polarizability	15.48
Ring Count	0
Rotatable Bond Count	6

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