2,6-bis(trifluoromethyl)-1,2-dihydropyridine

C7H5F6N — CID 19807243

IUPAC2,6-bis(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CC=CC(C(F)(F)F)N1
InChIInChI=1S/C7H5F6N/c8-6(9,10)4-2-1-3-5(14-4)7(11,12)13/h1-4,14H
InChIKeyOPMKAZNCAOJORM-UHFFFAOYSA-N
MW217.11 g/mol
LogP2.52
Rot. Bonds

About 2,6-bis(trifluoromethyl)-1,2-dihydropyridine

2,6-bis(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 19807243) has the molecular formula C7H5F6N and a molecular weight of 217.11 g/mol. Its IUPAC name is 2,6-bis(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2,6-bis(trifluoromethyl)-1,2-dihydropyridine
PubChem CID19807243
Molecular FormulaC7H5F6N
Molecular Weight217.11 g/mol
Exact Mass217.03
IUPAC Name2,6-bis(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CC=CC(C(F)(F)F)N1
InChIInChI=1S/C7H5F6N/c8-6(9,10)4-2-1-3-5(14-4)7(11,12)13/h1-4,14H
InChIKeyOPMKAZNCAOJORM-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 2,6-bis(trifluoromethyl)-1,2-dihydropyridine (CID 19807243) is 2,6-bis(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 2,6-bis(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 2,6-bis(trifluoromethyl)-1,2-dihydropyridine is FC(F)(F)C1=CC=CC(C(F)(F)F)N1.
What is the InChIKey of 2,6-bis(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is OPMKAZNCAOJORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F6N/c8-6(9,10)4-2-1-3-5(14-4)7(11,12)13/h1-4,14H.
What are the key properties of 2,6-bis(trifluoromethyl)-1,2-dihydropyridine?
2,6-bis(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 217.11 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 19807243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).