N-{1-cyano-1-[(4-fluorophenyl)methyl]ethyl}acetamide

N-{1-cyano-1-[(4-fluorophenyl)methyl]ethyl}acetamide

Formula: C12H13FN2O

SMILES: CC(=O)NC(C)(CC1=CC=C(F)C=C1)C#N

IUPAC: N-{1-cyano-1-[(4-fluorophenyl)methyl]ethyl}acetamide

InChI: InChI=1/C12H13FN2O/c1-9(16)15-12(2,8-14)7-10-3-5-11(13)6-4-10/h3-6H,7H2,1-2H3,(H,15,16)

Composition: C (65.44%), H (5.95%), F (8.63%), N (12.72%), O (7.26%)

Molar Mass: 220.247

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	220.10119121
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	USCQWAKNYIJAJP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.47
Topological Polar Surface Area	52.89
Polarizability	22.11
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H13FN2O		Quote Only