2-[2-(2-fluorophenyl)-2-oxoethyl]propanedinitrile

2-[2-(2-fluorophenyl)-2-oxoethyl]propanedinitrile

CAS: 312307-38-3

Formula: C11H7FN2O

SMILES: FC1=CC=CC=C1C(=O)CC(C#N)C#N

IUPAC: 2-[2-(2-fluorophenyl)-2-oxoethyl]propanedinitrile

InChI: InChI=1S/C11H7FN2O/c12-10-4-2-1-3-9(10)11(15)5-8(6-13)7-14/h1-4,8H,5H2

Composition: C (65.35%), H (3.49%), F (9.40%), N (13.86%), O (7.91%)

Molar Mass: 202.188

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.054241016
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NOUFLZSMHQHSHA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.82
Topological Polar Surface Area	64.65
Polarizability	19
Ring Count	1
Rotatable Bond Count	3

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