CAS 80866-87-1|(±)-α-Methoxy-α-trifluoromethylphenylacetonitrile|3,3,3-trifluoro-2-methoxy-2-phenylpropanenitrile|3,3,3-trifluoro-2-methoxy-2-phenylpropanenitrile|(+\-)-2-Methoxy-...

General Information

Structure

Molecular Formula

C₁₀H₈F₃NO

Molecular Mass

215.1718296

Exact Mass

215.05579854

Charge

InChI

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

InChIKey

UBOJBAYKXZRZHI-UHFFFAOYSA-N

Canonic Smiles

COC(C(F)(F)F)(c1ccccc1)C#N

Isomeric Smiles

c1cccc(c1)C(C#N)(C(F)(F)F)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.6279652

LogD (pH = 7.4)

2.6279652

Log P

2.6279652

Molar Refractivity

47.8491

Polarizability

17.602762

Polar Surface Area

33.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(±)-α-Methoxy-α-trifluoromethylphenylacetonitrile(+\-)-2-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile(+/-)-2-Methoxy-2-(trifluoromethyl)phenylacetonitrile 98%α-Methoxy-α-(trifluoromethyl)phenylacetonitrile(±)-α-甲氧基-α-(三氟甲基)苯乙腈(±)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetonitrile3,3,3-Trifluoro-2-methoxy-2-phenylpropionitrile(+/-)-a-甲氧基-a-(三氟甲基)苯乙腈

IUPAC name

3,3,3-trifluoro-2-methoxy-2-phenylpropanenitrile

IUPAC Traditional name

3,3,3-trifluoro-2-methoxy-2-phenylpropanenitrile

Names and Identifiers

Registration numbers

EC Number

279-591-4

PubChem SID

24851568160973691

CAS Number

80866-87-1