2-(N-methylanilino)-5-(trifluoromethyl)benzonitrile

C15H11F3N2 — CID 43331029

IUPAC2-(N-methylanilino)-5-(trifluoromethyl)benzonitrile
SMILESCN(c1ccccc1)c1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C15H11F3N2/c1-20(13-5-3-2-4-6-13)14-8-7-12(15(16,17)18)9-11(14)10-19/h2-9H,1H3
InChIKeyMTIYJIUTSYJHOI-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.34
Rot. Bonds2

About 2-(N-methylanilino)-5-(trifluoromethyl)benzonitrile

2-(N-methylanilino)-5-(trifluoromethyl)benzonitrile (PubChem CID 43331029) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(N-methylanilino)-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(N-methylanilino)-5-(trifluoromethyl)benzonitrile
PubChem CID43331029
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name2-(N-methylanilino)-5-(trifluoromethyl)benzonitrile
SMILESCN(c1ccccc1)c1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C15H11F3N2/c1-20(13-5-3-2-4-6-13)14-8-7-12(15(16,17)18)9-11(14)10-19/h2-9H,1H3
InChIKeyMTIYJIUTSYJHOI-UHFFFAOYSA-N
XLogP4.34
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(N-methylanilino)-5-(trifluoromethyl)benzonitrile (CID 43331029) is 2-(N-methylanilino)-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(N-methylanilino)-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(N-methylanilino)-5-(trifluoromethyl)benzonitrile is CN(c1ccccc1)c1ccc(C(F)(F)F)cc1C#N.
What is the InChIKey of 2-(N-methylanilino)-5-(trifluoromethyl)benzonitrile?
The InChIKey is MTIYJIUTSYJHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2/c1-20(13-5-3-2-4-6-13)14-8-7-12(15(16,17)18)9-11(14)10-19/h2-9H,1H3.
What are the key properties of 2-(N-methylanilino)-5-(trifluoromethyl)benzonitrile?
2-(N-methylanilino)-5-(trifluoromethyl)benzonitrile has a molecular weight of 276.26 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 43331029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).