5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile

C15H10F3NO — CID 107928062

IUPAC5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile
SMILESCc1ccc(Oc2ccccc2C(F)(F)F)c(C#N)c1
InChIInChI=1S/C15H10F3NO/c1-10-6-7-13(11(8-10)9-19)20-14-5-3-2-4-12(14)15(16,17)18/h2-8H,1H3
InChIKeyXGPZBZPWGXVOOY-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.68
Rot. Bonds2

About 5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile

5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile (PubChem CID 107928062) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is 5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile.

Molecular Properties

Compound Name5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile
PubChem CID107928062
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile
SMILESCc1ccc(Oc2ccccc2C(F)(F)F)c(C#N)c1
InChIInChI=1S/C15H10F3NO/c1-10-6-7-13(11(8-10)9-19)20-14-5-3-2-4-12(14)15(16,17)18/h2-8H,1H3
InChIKeyXGPZBZPWGXVOOY-UHFFFAOYSA-N
XLogP4.68
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile?
The IUPAC name of 5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile (CID 107928062) is 5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile.
What is the SMILES notation for 5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile?
The canonical SMILES for 5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile is Cc1ccc(Oc2ccccc2C(F)(F)F)c(C#N)c1.
What is the InChIKey of 5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile?
The InChIKey is XGPZBZPWGXVOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO/c1-10-6-7-13(11(8-10)9-19)20-14-5-3-2-4-12(14)15(16,17)18/h2-8H,1H3.
What are the key properties of 5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile?
5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile has a molecular weight of 277.25 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile is sourced from PubChem (CID 107928062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).