3-[3-(trifluoromethyl)phenyl]iminoisoindol-1-amine

C15H10F3N3 — CID 705566

IUPAC3-[3-(trifluoromethyl)phenyl]iminoisoindol-1-amine
SMILESNC1=N/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C15H10F3N3/c16-15(17,18)9-4-3-5-10(8-9)20-14-12-7-2-1-6-11(12)13(19)21-14/h1-8H,(H2,19,20,21)
InChIKeyARUIOXRWYYNHNS-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.50
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]iminoisoindol-1-amine

3-[3-(trifluoromethyl)phenyl]iminoisoindol-1-amine (PubChem CID 705566) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]iminoisoindol-1-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]iminoisoindol-1-amine
PubChem CID705566
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name3-[3-(trifluoromethyl)phenyl]iminoisoindol-1-amine
SMILESNC1=N/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C15H10F3N3/c16-15(17,18)9-4-3-5-10(8-9)20-14-12-7-2-1-6-11(12)13(19)21-14/h1-8H,(H2,19,20,21)
InChIKeyARUIOXRWYYNHNS-UHFFFAOYSA-N
XLogP3.50
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]iminoisoindol-1-amine?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]iminoisoindol-1-amine (CID 705566) is 3-[3-(trifluoromethyl)phenyl]iminoisoindol-1-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]iminoisoindol-1-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]iminoisoindol-1-amine is NC1=N/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]iminoisoindol-1-amine?
The InChIKey is ARUIOXRWYYNHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-15(17,18)9-4-3-5-10(8-9)20-14-12-7-2-1-6-11(12)13(19)21-14/h1-8H,(H2,19,20,21).
What are the key properties of 3-[3-(trifluoromethyl)phenyl]iminoisoindol-1-amine?
3-[3-(trifluoromethyl)phenyl]iminoisoindol-1-amine has a molecular weight of 289.26 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]iminoisoindol-1-amine is sourced from PubChem (CID 705566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).