6-(difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine

C11H19F2N — CID 170613718

IUPAC6-(difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCCC1=C(C(C)C)C(C(F)F)NCC1
InChIInChI=1S/C11H19F2N/c1-4-8-5-6-14-10(11(12)13)9(8)7(2)3/h7,10-11,14H,4-6H2,1-3H3
InChIKeyGLGBOLXRULHMFF-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.98
Rot. Bonds3

About 6-(difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine

6-(difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine (PubChem CID 170613718) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine
PubChem CID170613718
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name6-(difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCCC1=C(C(C)C)C(C(F)F)NCC1
InChIInChI=1S/C11H19F2N/c1-4-8-5-6-14-10(11(12)13)9(8)7(2)3/h7,10-11,14H,4-6H2,1-3H3
InChIKeyGLGBOLXRULHMFF-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-(difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine (CID 170613718) is 6-(difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-(difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-(difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine is CCC1=C(C(C)C)C(C(F)F)NCC1.
What is the InChIKey of 6-(difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is GLGBOLXRULHMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-4-8-5-6-14-10(11(12)13)9(8)7(2)3/h7,10-11,14H,4-6H2,1-3H3.
What are the key properties of 6-(difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine?
6-(difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 203.28 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 170613718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).