2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile

C14H9F3N2 — CID 118839696

IUPAC2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2ccccc2C(F)(F)F)ccc1N
InChIInChI=1S/C14H9F3N2/c15-14(16,17)12-4-2-1-3-11(12)9-5-6-13(19)10(7-9)8-18/h1-7H,19H2
InChIKeyKIQVITOESFYMON-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.83
Rot. Bonds1

About 2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile

2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 118839696) has the molecular formula C14H9F3N2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID118839696
Molecular FormulaC14H9F3N2
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2ccccc2C(F)(F)F)ccc1N
InChIInChI=1S/C14H9F3N2/c15-14(16,17)12-4-2-1-3-11(12)9-5-6-13(19)10(7-9)8-18/h1-7H,19H2
InChIKeyKIQVITOESFYMON-UHFFFAOYSA-N
XLogP3.83
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile (CID 118839696) is 2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cc(-c2ccccc2C(F)(F)F)ccc1N.
What is the InChIKey of 2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is KIQVITOESFYMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2/c15-14(16,17)12-4-2-1-3-11(12)9-5-6-13(19)10(7-9)8-18/h1-7H,19H2.
What are the key properties of 2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile?
2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 262.23 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 118839696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).