2-(2,5-difluorobenzenesulfonyl)-2-(pyrrolidin-2-ylidene)acetonitrile

2-(2,5-difluorobenzenesulfonyl)-2-(pyrrolidin-2-ylidene)acetonitrile

CAS: 1454881-52-7

Formula: C12H10F2N2O2S

SMILES: FC1=CC(=C(F)C=C1)S(=O)(=O)C(C#N)=C1CCCN1

IUPAC: 2-(2,5-difluorobenzenesulfonyl)-2-(pyrrolidin-2-ylidene)acetonitrile

InChI: InChI=1S/C12H10F2N2O2S/c13-8-3-4-9(14)11(6-8)19(17,18)12(7-15)10-2-1-5-16-10/h3-4,6,16H,1-2,5H2

Composition: C (50.70%), H (3.55%), F (13.37%), N (9.85%), O (11.26%), S (11.28%)

Molar Mass: 284.28

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	284.04310507
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RMAMDWGXVGEJPB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.24
Topological Polar Surface Area	69.96
Polarizability	25.06
Ring Count	2
Rotatable Bond Count	2

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