4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile

C15H10F3NO2 — CID 66790483

IUPAC4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile
SMILESCOc1ccc(Oc2ccc(C#N)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO2/c1-20-12-6-7-14(13(8-12)15(16,17)18)21-11-4-2-10(9-19)3-5-11/h2-8H,1H3
InChIKeyLEGGHQLVAYYEDH-UHFFFAOYSA-N
MW293.24 g/mol
LogP4.38
Rot. Bonds3

About 4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile

4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile (PubChem CID 66790483) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile.

Molecular Properties

Compound Name4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile
PubChem CID66790483
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile
SMILESCOc1ccc(Oc2ccc(C#N)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO2/c1-20-12-6-7-14(13(8-12)15(16,17)18)21-11-4-2-10(9-19)3-5-11/h2-8H,1H3
InChIKeyLEGGHQLVAYYEDH-UHFFFAOYSA-N
XLogP4.38
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile
CID 115467720
4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile
CID 115468217
4-(3-methoxyphenoxy)benzonitrile
CID 15643687
3-iodo-4-(4-methoxyphenoxy)benzonitrile
CID 134929807
4-methoxy(13C)benzonitrile
CID 175991125
4-methoxy-2-[2-(trifluoromethyl)phenoxy]benzonitrile
CID 81296767
4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile
CID 115467623
[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid
CID 66789606
4-(2-tert-butyl-4-ethylphenoxy)benzonitrile
CID 20989459
6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 115467723
4-(5-tert-butyl-2-methylphenoxy)benzonitrile
CID 140898828
4-[2-(methylamino)ethoxy]-3-(trifluoromethyl)benzonitrile
CID 113315524

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile?
The IUPAC name of 4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile (CID 66790483) is 4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile.
What is the SMILES notation for 4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile?
The canonical SMILES for 4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile is COc1ccc(Oc2ccc(C#N)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile?
The InChIKey is LEGGHQLVAYYEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c1-20-12-6-7-14(13(8-12)15(16,17)18)21-11-4-2-10(9-19)3-5-11/h2-8H,1H3.
What are the key properties of 4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile?
4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile has a molecular weight of 293.24 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile is sourced from PubChem (CID 66790483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).