tert-butyl 4-(4-fluoro-2-formylphenyl)piperazine-1-carboxylate

tert-butyl 4-(4-fluoro-2-formylphenyl)piperazine-1-carboxylate

CAS: 697305-53-6

Formula: C16H21FN2O3

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=C(C=O)C=C(F)C=C1

IUPAC: tert-butyl 4-(4-fluoro-2-formylphenyl)piperazine-1-carboxylate

InChI: InChI=1S/C16H21FN2O3/c1-16(2,3)22-15(21)19-8-6-18(7-9-19)14-5-4-13(17)10-12(14)11-20/h4-5,10-11H,6-9H2,1-3H3

Composition: C (62.32%), H (6.86%), F (6.16%), N (9.09%), O (15.57%)

Molar Mass: 308.353

Atom Count: 43

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	308.153620707
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CUQLHUZVZHDBHN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.04
Topological Polar Surface Area	49.85
Polarizability	30.83
Ring Count	2
Rotatable Bond Count	4

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