1-[3-(trifluoromethyl)phenyl]butane-1,3-dione

1-[3-(trifluoromethyl)phenyl]butane-1,3-dione

CAS: 55655-84-0

Formula: C11H9F3O2

SMILES: CC(=O)CC(=O)C1=CC(=CC=C1)C(F)(F)F

IUPAC: 1-[3-(trifluoromethyl)phenyl]butane-1,3-dione

InChI: InChI=1S/C11H9F3O2/c1-7(15)5-10(16)8-3-2-4-9(6-8)11(12,13)14/h2-4,6H,5H2,1H3

Composition: C (57.40%), H (3.94%), F (24.76%), O (13.90%)

Molar Mass: 230.186

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	230.055464019
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	TWXWMOJBLYOVJM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.33
Topological Polar Surface Area	34.14
Polarizability	19.03
Ring Count	1
Rotatable Bond Count	4

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	55655-84-0		$272.16$272.16