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tert-butyl N-{[(2R,4S)-4-fluoropyrrolidin-2-yl]methyl}carbamate hydrochloride

tert-butyl N-{[(2R,4S)-4-fluoropyrrolidin-2-yl]methyl}carbamate hydrochloride

CAS: 1818843-18-3

Formula: C10H20ClFN2O2

SMILES: Cl.CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1

IUPAC: tert-butyl N-{[(2R,4S)-4-fluoropyrrolidin-2-yl]methyl}carbamate hydrochloride

InChI: InChI=1S/C10H19FN2O2.ClH/c1-10(2,3)15-9(14)13-6-8-4-7(11)5-12-8;/h7-8,12H,4-6H2,1-3H3,(H,13,14);1H/t7-,8+;/m0./s1

Composition: C (47.15%), H (7.91%), Cl (13.92%), F (7.46%), N (11.00%), O (12.56%)

Molar Mass: 254.73

Atom Count: 36

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 254.1197338
Formal Charge 0
FSP3 0.9
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey ZFUOQMCJMKAZMC-KZYPOYLOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.35
Topological Polar Surface Area 50.36
Polarizability 21.61
Ring Count 1
Rotatable Bond Count 4

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97% <7 Days 1818843-18-3 $317.75-$805.23$317.75$560.97$805.23
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97% <6 Days 1818843-18-3 $173.65-$519.80$173.65$346.15$519.80
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