4-(diethylamino)-1,1,1-trifluorobut-3-en-2-one

4-(diethylamino)-1,1,1-trifluorobut-3-en-2-one

CAS: 21045-62-5

Formula: C8H12F3NO

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

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

InChI: InChI=1S/C8H12F3NO/c1-3-12(4-2)6-5-7(13)8(9,10)11/h5-6H,3-4H2,1-2H3

Composition: C (49.23%), H (6.20%), F (29.20%), N (7.18%), O (8.20%)

Molar Mass: 195.185

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	195.087098499
Formal Charge	0
FSP3	0.62
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QKPHMBNBSBNCJN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.05
Topological Polar Surface Area	20.31
Polarizability	15.86
Ring Count	0
Rotatable Bond Count	5

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