2-(trifluoromethyl)-1H-perimidine

C12H7F3N2 — CID 616832

IUPAC2-(trifluoromethyl)-1H-perimidine
SMILESFC(F)(F)C1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C12H7F3N2/c13-12(14,15)11-16-8-5-1-3-7-4-2-6-9(17-11)10(7)8/h1-6H,(H,16,17)
InChIKeyHVARHVMCZYYPQJ-UHFFFAOYSA-N
MW236.20 g/mol
LogP3.86
Rot. Bonds

About 2-(trifluoromethyl)-1H-perimidine

2-(trifluoromethyl)-1H-perimidine (PubChem CID 616832) has the molecular formula C12H7F3N2 and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1H-perimidine.

Molecular Properties

Compound Name2-(trifluoromethyl)-1H-perimidine
PubChem CID616832
Molecular FormulaC12H7F3N2
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name2-(trifluoromethyl)-1H-perimidine
SMILESFC(F)(F)C1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C12H7F3N2/c13-12(14,15)11-16-8-5-1-3-7-4-2-6-9(17-11)10(7)8/h1-6H,(H,16,17)
InChIKeyHVARHVMCZYYPQJ-UHFFFAOYSA-N
XLogP3.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1H-perimidine?
The IUPAC name of 2-(trifluoromethyl)-1H-perimidine (CID 616832) is 2-(trifluoromethyl)-1H-perimidine.
What is the SMILES notation for 2-(trifluoromethyl)-1H-perimidine?
The canonical SMILES for 2-(trifluoromethyl)-1H-perimidine is FC(F)(F)C1=Nc2cccc3cccc(c23)N1.
What is the InChIKey of 2-(trifluoromethyl)-1H-perimidine?
The InChIKey is HVARHVMCZYYPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2/c13-12(14,15)11-16-8-5-1-3-7-4-2-6-9(17-11)10(7)8/h1-6H,(H,16,17).
What are the key properties of 2-(trifluoromethyl)-1H-perimidine?
2-(trifluoromethyl)-1H-perimidine has a molecular weight of 236.20 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1H-perimidine is sourced from PubChem (CID 616832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).