2,6-dichloro-4-(trifluoromethyl)-1,2-dihydropyridine

C6H4Cl2F3N — CID 138626037

IUPAC2,6-dichloro-4-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CC(Cl)NC(Cl)=C1
InChIInChI=1S/C6H4Cl2F3N/c7-4-1-3(6(9,10)11)2-5(8)12-4/h1-2,4,12H
InChIKeyMZFDEIFSOYFUIN-UHFFFAOYSA-N
MW218.01 g/mol
LogP2.72
Rot. Bonds

About 2,6-dichloro-4-(trifluoromethyl)-1,2-dihydropyridine

2,6-dichloro-4-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 138626037) has the molecular formula C6H4Cl2F3N and a molecular weight of 218.01 g/mol. Its IUPAC name is 2,6-dichloro-4-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2,6-dichloro-4-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID138626037
Molecular FormulaC6H4Cl2F3N
Molecular Weight218.01 g/mol
Exact Mass216.97
IUPAC Name2,6-dichloro-4-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CC(Cl)NC(Cl)=C1
InChIInChI=1S/C6H4Cl2F3N/c7-4-1-3(6(9,10)11)2-5(8)12-4/h1-2,4,12H
InChIKeyMZFDEIFSOYFUIN-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.01
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 2,6-dichloro-4-(trifluoromethyl)-1,2-dihydropyridine (CID 138626037) is 2,6-dichloro-4-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 2,6-dichloro-4-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 2,6-dichloro-4-(trifluoromethyl)-1,2-dihydropyridine is FC(F)(F)C1=CC(Cl)NC(Cl)=C1.
What is the InChIKey of 2,6-dichloro-4-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is MZFDEIFSOYFUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2F3N/c7-4-1-3(6(9,10)11)2-5(8)12-4/h1-2,4,12H.
What are the key properties of 2,6-dichloro-4-(trifluoromethyl)-1,2-dihydropyridine?
2,6-dichloro-4-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 218.01 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 138626037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).