2,2,6-trimethyl-3,4-bis(2,2,2-trifluoroethyl)-1H-pyridine

C12H15F6N — CID 151786518

IUPAC2,2,6-trimethyl-3,4-bis(2,2,2-trifluoroethyl)-1H-pyridine
SMILESCC1=CC(CC(F)(F)F)=C(CC(F)(F)F)C(C)(C)N1
InChIInChI=1S/C12H15F6N/c1-7-4-8(5-11(13,14)15)9(6-12(16,17)18)10(2,3)19-7/h4,19H,5-6H2,1-3H3
InChIKeyRVSIYYNULVSROE-UHFFFAOYSA-N
MW287.25 g/mol
LogP4.47
Rot. Bonds2

About 2,2,6-trimethyl-3,4-bis(2,2,2-trifluoroethyl)-1H-pyridine

2,2,6-trimethyl-3,4-bis(2,2,2-trifluoroethyl)-1H-pyridine (PubChem CID 151786518) has the molecular formula C12H15F6N and a molecular weight of 287.25 g/mol. Its IUPAC name is 2,2,6-trimethyl-3,4-bis(2,2,2-trifluoroethyl)-1H-pyridine.

Molecular Properties

Compound Name2,2,6-trimethyl-3,4-bis(2,2,2-trifluoroethyl)-1H-pyridine
PubChem CID151786518
Molecular FormulaC12H15F6N
Molecular Weight287.25 g/mol
Exact Mass287.11
IUPAC Name2,2,6-trimethyl-3,4-bis(2,2,2-trifluoroethyl)-1H-pyridine
SMILESCC1=CC(CC(F)(F)F)=C(CC(F)(F)F)C(C)(C)N1
InChIInChI=1S/C12H15F6N/c1-7-4-8(5-11(13,14)15)9(6-12(16,17)18)10(2,3)19-7/h4,19H,5-6H2,1-3H3
InChIKeyRVSIYYNULVSROE-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-3,4-bis(2,2,2-trifluoroethyl)-1H-pyridine?
The IUPAC name of 2,2,6-trimethyl-3,4-bis(2,2,2-trifluoroethyl)-1H-pyridine (CID 151786518) is 2,2,6-trimethyl-3,4-bis(2,2,2-trifluoroethyl)-1H-pyridine.
What is the SMILES notation for 2,2,6-trimethyl-3,4-bis(2,2,2-trifluoroethyl)-1H-pyridine?
The canonical SMILES for 2,2,6-trimethyl-3,4-bis(2,2,2-trifluoroethyl)-1H-pyridine is CC1=CC(CC(F)(F)F)=C(CC(F)(F)F)C(C)(C)N1.
What is the InChIKey of 2,2,6-trimethyl-3,4-bis(2,2,2-trifluoroethyl)-1H-pyridine?
The InChIKey is RVSIYYNULVSROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F6N/c1-7-4-8(5-11(13,14)15)9(6-12(16,17)18)10(2,3)19-7/h4,19H,5-6H2,1-3H3.
What are the key properties of 2,2,6-trimethyl-3,4-bis(2,2,2-trifluoroethyl)-1H-pyridine?
2,2,6-trimethyl-3,4-bis(2,2,2-trifluoroethyl)-1H-pyridine has a molecular weight of 287.25 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-3,4-bis(2,2,2-trifluoroethyl)-1H-pyridine is sourced from PubChem (CID 151786518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).