ethyl (1S,3R,4R)-3-fluoro-4-hydroxycyclohexane-1-carboxylate

ethyl (1S,3R,4R)-3-fluoro-4-hydroxycyclohexane-1-carboxylate

CAS: 2166005-19-0

Formula: C9H15FO3

SMILES: CCOC(=O)[C@H]1CC[C@@H](O)[C@H](F)C1

IUPAC: ethyl (1S,3R,4R)-3-fluoro-4-hydroxycyclohexane-1-carboxylate

InChI: InChI=1S/C9H15FO3/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h6-8,11H,2-5H2,1H3/t6-,7+,8+/m0/s1

Composition: C (56.83%), H (7.95%), F (9.99%), O (25.23%)

Molar Mass: 190.214

Atom Count: 28

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	3
Exact Mass	190.100522506
Formal Charge	0
FSP3	0.89
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZPJBXIBMCBUPIT-XLPZGREQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.7
Topological Polar Surface Area	46.53
Polarizability	17.78
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2166005-19-0		$259.77-$3,211.77$259.77$416.13$714.99$1,070.59$3,211.77