2-[3-(trifluoromethyl)anilino]benzonitrile

C14H9F3N2 — CID 11673349

IUPAC2-[3-(trifluoromethyl)anilino]benzonitrile
SMILESN#Cc1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)11-5-3-6-12(8-11)19-13-7-2-1-4-10(13)9-18/h1-8,19H
InChIKeyZWADFWPVXXWOEY-UHFFFAOYSA-N
MW262.23 g/mol
LogP4.32
Rot. Bonds2

About 2-[3-(trifluoromethyl)anilino]benzonitrile

2-[3-(trifluoromethyl)anilino]benzonitrile (PubChem CID 11673349) has the molecular formula C14H9F3N2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)anilino]benzonitrile.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)anilino]benzonitrile
PubChem CID11673349
Molecular FormulaC14H9F3N2
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name2-[3-(trifluoromethyl)anilino]benzonitrile
SMILESN#Cc1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)11-5-3-6-12(8-11)19-13-7-2-1-4-10(13)9-18/h1-8,19H
InChIKeyZWADFWPVXXWOEY-UHFFFAOYSA-N
XLogP4.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)anilino]benzonitrile?
The IUPAC name of 2-[3-(trifluoromethyl)anilino]benzonitrile (CID 11673349) is 2-[3-(trifluoromethyl)anilino]benzonitrile.
What is the SMILES notation for 2-[3-(trifluoromethyl)anilino]benzonitrile?
The canonical SMILES for 2-[3-(trifluoromethyl)anilino]benzonitrile is N#Cc1ccccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)anilino]benzonitrile?
The InChIKey is ZWADFWPVXXWOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2/c15-14(16,17)11-5-3-6-12(8-11)19-13-7-2-1-4-10(13)9-18/h1-8,19H.
What are the key properties of 2-[3-(trifluoromethyl)anilino]benzonitrile?
2-[3-(trifluoromethyl)anilino]benzonitrile has a molecular weight of 262.23 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)anilino]benzonitrile is sourced from PubChem (CID 11673349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).