2,6-bis(difluoromethyl)-1,3-diethyl-4-(2-methylpropyl)-4H-pyridine

C15H23F4N — CID 67936847

IUPAC2,6-bis(difluoromethyl)-1,3-diethyl-4-(2-methylpropyl)-4H-pyridine
SMILESCCC1=C(C(F)F)N(CC)C(C(F)F)=CC1CC(C)C
InChIInChI=1S/C15H23F4N/c1-5-11-10(7-9(3)4)8-12(14(16)17)20(6-2)13(11)15(18)19/h8-10,14-15H,5-7H2,1-4H3
InChIKeyJIAOWZGADDVNJV-UHFFFAOYSA-N
MW293.35 g/mol
LogP5.06
Rot. Bonds6

About 2,6-bis(difluoromethyl)-1,3-diethyl-4-(2-methylpropyl)-4H-pyridine

2,6-bis(difluoromethyl)-1,3-diethyl-4-(2-methylpropyl)-4H-pyridine (PubChem CID 67936847) has the molecular formula C15H23F4N and a molecular weight of 293.35 g/mol. Its IUPAC name is 2,6-bis(difluoromethyl)-1,3-diethyl-4-(2-methylpropyl)-4H-pyridine.

Molecular Properties

Compound Name2,6-bis(difluoromethyl)-1,3-diethyl-4-(2-methylpropyl)-4H-pyridine
PubChem CID67936847
Molecular FormulaC15H23F4N
Molecular Weight293.35 g/mol
Exact Mass293.18
IUPAC Name2,6-bis(difluoromethyl)-1,3-diethyl-4-(2-methylpropyl)-4H-pyridine
SMILESCCC1=C(C(F)F)N(CC)C(C(F)F)=CC1CC(C)C
InChIInChI=1S/C15H23F4N/c1-5-11-10(7-9(3)4)8-12(14(16)17)20(6-2)13(11)15(18)19/h8-10,14-15H,5-7H2,1-4H3
InChIKeyJIAOWZGADDVNJV-UHFFFAOYSA-N
XLogP5.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.35
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(difluoromethyl)-1,3-diethyl-4-(2-methylpropyl)-4H-pyridine?
The IUPAC name of 2,6-bis(difluoromethyl)-1,3-diethyl-4-(2-methylpropyl)-4H-pyridine (CID 67936847) is 2,6-bis(difluoromethyl)-1,3-diethyl-4-(2-methylpropyl)-4H-pyridine.
What is the SMILES notation for 2,6-bis(difluoromethyl)-1,3-diethyl-4-(2-methylpropyl)-4H-pyridine?
The canonical SMILES for 2,6-bis(difluoromethyl)-1,3-diethyl-4-(2-methylpropyl)-4H-pyridine is CCC1=C(C(F)F)N(CC)C(C(F)F)=CC1CC(C)C.
What is the InChIKey of 2,6-bis(difluoromethyl)-1,3-diethyl-4-(2-methylpropyl)-4H-pyridine?
The InChIKey is JIAOWZGADDVNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F4N/c1-5-11-10(7-9(3)4)8-12(14(16)17)20(6-2)13(11)15(18)19/h8-10,14-15H,5-7H2,1-4H3.
What are the key properties of 2,6-bis(difluoromethyl)-1,3-diethyl-4-(2-methylpropyl)-4H-pyridine?
2,6-bis(difluoromethyl)-1,3-diethyl-4-(2-methylpropyl)-4H-pyridine has a molecular weight of 293.35 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(difluoromethyl)-1,3-diethyl-4-(2-methylpropyl)-4H-pyridine is sourced from PubChem (CID 67936847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).