methyl 5,5,5-trifluoro-3-oxopentanoate

methyl 5,5,5-trifluoro-3-oxopentanoate

CAS: 915213-24-0

Formula: C6H7F3O3

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

IUPAC: methyl 5,5,5-trifluoro-3-oxopentanoate

InChI: InChI=1S/C6H7F3O3/c1-12-5(11)2-4(10)3-6(7,8)9/h2-3H2,1H3

Composition: C (39.14%), H (3.83%), F (30.96%), O (26.07%)

Molar Mass: 184.114

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	184.034728574
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NIQRIYYEIXZIJI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.87
Topological Polar Surface Area	43.37
Polarizability	12.45
Ring Count	0
Rotatable Bond Count	5

Suppliers

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	915213-24-0		$132.25-$1,370.80$132.25$143.75$171.35$227.70$342.70$1,370.80