Text Search
Structure Search

tert-butyl N-[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamate hydrochloride

tert-butyl N-[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamate hydrochloride

CAS: 2097061-04-4

Formula: C9H18ClFN2O2

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

IUPAC: tert-butyl N-[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamate hydrochloride

InChI: InChI=1S/C9H17FN2O2.ClH/c1-9(2,3)14-8(13)12-7-5-11-4-6(7)10;/h6-7,11H,4-5H2,1-3H3,(H,12,13);1H/t6-,7-;/m1./s1

Composition: C (44.91%), H (7.54%), Cl (14.73%), F (7.89%), N (11.64%), O (13.29%)

Molar Mass: 240.7

Atom Count: 33

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 240.1040837
Formal Charge 0
FSP3 0.89
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey MKIHIDFXVOGEND-ZJLYAJKPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.49
Topological Polar Surface Area 50.36
Polarizability 19.78
Ring Count 1
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2097061-04-4 $221.95-$6,762.00$221.95$327.75$540.50$966.00$1,817.00$6,762.00
Request Quote