2-[2-iodo-5-(trifluoromethyl)phenyl]acetonitrile

2-[2-iodo-5-(trifluoromethyl)phenyl]acetonitrile

CAS: 702641-07-4

Formula: C9H5F3IN

SMILES: FC(F)(F)C1=CC=C(I)C(CC#N)=C1

IUPAC: 2-[2-iodo-5-(trifluoromethyl)phenyl]acetonitrile

InChI: InChI=1S/C9H5F3IN/c10-9(11,12)7-1-2-8(13)6(5-7)3-4-14/h1-2,5H,3H2

Composition: C (34.75%), H (1.62%), F (18.32%), I (40.80%), N (4.50%)

Molar Mass: 311.046

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	310.94188
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RAWNVDVKSKEHCJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.68
Topological Polar Surface Area	23.79
Polarizability	20.54
Ring Count	1
Rotatable Bond Count	2

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