ethyl 2,2-difluoro-3-methylbutanoate

ethyl 2,2-difluoro-3-methylbutanoate

CAS: 165544-22-9

Formula: C7H12F2O2

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

IUPAC: ethyl 2,2-difluoro-3-methylbutanoate

InChI: InChI=1S/C7H12F2O2/c1-4-11-6(10)7(8,9)5(2)3/h5H,4H2,1-3H3

Composition: C (50.60%), H (7.28%), F (22.87%), O (19.26%)

Molar Mass: 166.168

Atom Count: 23

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	166.080535952
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	BSFZCZWHESWEKH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.19
Topological Polar Surface Area	26.3
Polarizability	14.02
Ring Count	0
Rotatable Bond Count	4

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	165544-22-9		$703.08$703.08

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	165544-22-9		$227.70-$4,597.70$227.70$342.70$457.70$687.70$1,147.70$4,597.70