tert-butyl 3-({[(3-fluorophenyl)methyl]amino}methyl)pyrrolidine-1-carboxylate

tert-butyl 3-({[(3-fluorophenyl)methyl]amino}methyl)pyrrolidine-1-carboxylate

CAS: 887590-99-0

Formula: C17H25FN2O2

SMILES: CC(C)(C)OC(=O)N1CCC(CNCC2=CC(F)=CC=C2)C1

IUPAC: tert-butyl 3-({[(3-fluorophenyl)methyl]amino}methyl)pyrrolidine-1-carboxylate

InChI: InChI=1/C17H25FN2O2/c1-17(2,3)22-16(21)20-8-7-14(12-20)11-19-10-13-5-4-6-15(18)9-13/h4-6,9,14,19H,7-8,10-12H2,1-3H3

Composition: C (66.21%), H (8.17%), F (6.16%), N (9.08%), O (10.38%)

Molar Mass: 308.397

Atom Count: 47

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	308.190006216
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CMKPBBAKIIMGLF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.79
Topological Polar Surface Area	41.57
Polarizability	32.94
Ring Count	2
Rotatable Bond Count	6

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