ethyl 1-(trifluoromethyl)cyclobutane-1-carboxylate

ethyl 1-(trifluoromethyl)cyclobutane-1-carboxylate

CAS: 1040683-08-6

Formula: C8H11F3O2

SMILES: CCOC(=O)C1(CCC1)C(F)(F)F

IUPAC: ethyl 1-(trifluoromethyl)cyclobutane-1-carboxylate

InChI: InChI=1S/C8H11F3O2/c1-2-13-6(12)7(4-3-5-7)8(9,10)11/h2-5H2,1H3

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	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	AYUISFJYNKIHDD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.6
Topological Polar Surface Area	26.3
Polarizability	15.06
Ring Count	1
Rotatable Bond Count	4

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	1040683-08-6		$94.50-$354.38$94.50$354.38