tert-butyl 2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

CAS: 1404196-40-2

Formula: C12H20FNO3

SMILES: CC(C)(C)OC(=O)N1C2CCC1C(F)C(O)C2

IUPAC: tert-butyl 2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

InChI: InChI=1/C12H20FNO3/c1-12(2,3)17-11(16)14-7-4-5-8(14)10(13)9(15)6-7/h7-10,15H,4-6H2,1-3H3

Composition: C (58.76%), H (8.22%), F (7.75%), N (5.71%), O (19.57%)

Molar Mass: 245.294

Atom Count: 37

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	4
Exact Mass	245.142721671
Formal Charge	0
FSP3	0.92
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PNYPYVVSZDGBSI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.7
Topological Polar Surface Area	49.77
Polarizability	23.7
Ring Count	2
Rotatable Bond Count	2

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