1-(trifluoromethyl)-2,3-dihydropyridin-4-imine

C6H7F3N2 — CID 90810183

IUPAC1-(trifluoromethyl)-2,3-dihydropyridin-4-imine
SMILES[H]/N=C1\C=CN(C(F)(F)F)CC1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)11-3-1-5(10)2-4-11/h1,3,10H,2,4H2/b10-5+
InChIKeyJGHYSIBATHOFDH-BJMVGYQFSA-N
MW164.13 g/mol
LogP1.75
Rot. Bonds

About 1-(trifluoromethyl)-2,3-dihydropyridin-4-imine

1-(trifluoromethyl)-2,3-dihydropyridin-4-imine (PubChem CID 90810183) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2,3-dihydropyridin-4-imine.

Molecular Properties

Compound Name1-(trifluoromethyl)-2,3-dihydropyridin-4-imine
PubChem CID90810183
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name1-(trifluoromethyl)-2,3-dihydropyridin-4-imine
SMILES[H]/N=C1\C=CN(C(F)(F)F)CC1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)11-3-1-5(10)2-4-11/h1,3,10H,2,4H2/b10-5+
InChIKeyJGHYSIBATHOFDH-BJMVGYQFSA-N
XLogP1.75
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2,3-dihydropyridin-4-imine?
The IUPAC name of 1-(trifluoromethyl)-2,3-dihydropyridin-4-imine (CID 90810183) is 1-(trifluoromethyl)-2,3-dihydropyridin-4-imine.
What is the SMILES notation for 1-(trifluoromethyl)-2,3-dihydropyridin-4-imine?
The canonical SMILES for 1-(trifluoromethyl)-2,3-dihydropyridin-4-imine is [H]/N=C1\C=CN(C(F)(F)F)CC1.
What is the InChIKey of 1-(trifluoromethyl)-2,3-dihydropyridin-4-imine?
The InChIKey is JGHYSIBATHOFDH-BJMVGYQFSA-N. The full InChI is InChI=1S/C6H7F3N2/c7-6(8,9)11-3-1-5(10)2-4-11/h1,3,10H,2,4H2/b10-5+.
What are the key properties of 1-(trifluoromethyl)-2,3-dihydropyridin-4-imine?
1-(trifluoromethyl)-2,3-dihydropyridin-4-imine has a molecular weight of 164.13 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2,3-dihydropyridin-4-imine is sourced from PubChem (CID 90810183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).