2-hydroxy-2-[4-(trifluoromethoxy)phenyl]acetonitrile

2-hydroxy-2-[4-(trifluoromethoxy)phenyl]acetonitrile

CAS: 1155915-20-0

Formula: C9H6F3NO2

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

IUPAC: 2-hydroxy-2-[4-(trifluoromethoxy)phenyl]acetonitrile

InChI: InChI=1/C9H6F3NO2/c10-9(11,12)15-7-3-1-6(2-4-7)8(14)5-13/h1-4,8,14H

Composition: C (49.78%), H (2.79%), F (26.25%), N (6.45%), O (14.74%)

Molar Mass: 217.147

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	217.035062926
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BCBYIIYTRJSDAW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.75
Topological Polar Surface Area	53.25
Polarizability	16.53
Ring Count	1
Rotatable Bond Count	3

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