2-[4-methoxy-2-(trifluoromethyl)phenyl]acetonitrile

2-[4-methoxy-2-(trifluoromethyl)phenyl]acetonitrile

CAS: 916420-88-7

Formula: C10H8F3NO

SMILES: COC1=CC(=C(CC#N)C=C1)C(F)(F)F

IUPAC: 2-[4-methoxy-2-(trifluoromethyl)phenyl]acetonitrile

InChI: InChI=1S/C10H8F3NO/c1-15-8-3-2-7(4-5-14)9(6-8)10(11,12)13/h2-3,6H,4H2,1H3

Composition: C (55.82%), H (3.75%), F (26.49%), N (6.51%), O (7.44%)

Molar Mass: 215.175

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.055798371
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UIQKAYWWWFKAKU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.78
Topological Polar Surface Area	33.02
Polarizability	17.58
Ring Count	1
Rotatable Bond Count	3

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