4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile

C15H10F3NO — CID 43138559

IUPAC4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile
SMILESCc1ccc(Oc2ccc(C#N)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H10F3NO/c1-10-2-5-12(6-3-10)20-13-7-4-11(9-19)14(8-13)15(16,17)18/h2-8H,1H3
InChIKeyNLEVNQCHSZMRKR-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.68
Rot. Bonds2

About 4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile

4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile (PubChem CID 43138559) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile
PubChem CID43138559
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile
SMILESCc1ccc(Oc2ccc(C#N)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H10F3NO/c1-10-2-5-12(6-3-10)20-13-7-4-11(9-19)14(8-13)15(16,17)18/h2-8H,1H3
InChIKeyNLEVNQCHSZMRKR-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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Related Compounds

4-(3,4-dimethylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43320722
4-methyl-2-(trifluoromethyl)benzonitrile
CID 2775597
4-(2-chloro-5-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43364396
4-(4-formylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 51051320
4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 107658030
4-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propoxy]-2-(trifluoromethyl)benzonitrile
CID 11546106
4-[5-[4-cyano-3-(trifluoromethyl)phenoxy]pentoxy]-2-(trifluoromethyl)benzonitrile
CID 11517854
4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile
CID 116801192
4-(3-methoxypropoxy)-2-(trifluoromethyl)benzonitrile
CID 54936581
4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile
CID 46181472
4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile
CID 43138569
4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile
CID 43320716

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile (CID 43138559) is 4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile is Cc1ccc(Oc2ccc(C#N)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile?
The InChIKey is NLEVNQCHSZMRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO/c1-10-2-5-12(6-3-10)20-13-7-4-11(9-19)14(8-13)15(16,17)18/h2-8H,1H3.
What are the key properties of 4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile?
4-(4-methylphenoxy)-2-(trifluoromethyl)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 4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 43138559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).