1-(2,2-difluoroethyl)-4-methyl-5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine

C12H19F2N — CID 170093351

IUPAC1-(2,2-difluoroethyl)-4-methyl-5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)=CC1=C(C)CCN(CC(F)F)C1
InChIInChI=1S/C12H19F2N/c1-9(2)6-11-7-15(8-12(13)14)5-4-10(11)3/h6,12H,4-5,7-8H2,1-3H3
InChIKeyCZOPPAPZHOYHDW-UHFFFAOYSA-N
MW215.29 g/mol
LogP3.24
Rot. Bonds3

About 1-(2,2-difluoroethyl)-4-methyl-5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine

1-(2,2-difluoroethyl)-4-methyl-5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine (PubChem CID 170093351) has the molecular formula C12H19F2N and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-methyl-5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-methyl-5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine
PubChem CID170093351
Molecular FormulaC12H19F2N
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(2,2-difluoroethyl)-4-methyl-5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)=CC1=C(C)CCN(CC(F)F)C1
InChIInChI=1S/C12H19F2N/c1-9(2)6-11-7-15(8-12(13)14)5-4-10(11)3/h6,12H,4-5,7-8H2,1-3H3
InChIKeyCZOPPAPZHOYHDW-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-methyl-5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-methyl-5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine (CID 170093351) is 1-(2,2-difluoroethyl)-4-methyl-5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-methyl-5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-methyl-5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine is CC(C)=CC1=C(C)CCN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-methyl-5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine?
The InChIKey is CZOPPAPZHOYHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N/c1-9(2)6-11-7-15(8-12(13)14)5-4-10(11)3/h6,12H,4-5,7-8H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-methyl-5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine?
1-(2,2-difluoroethyl)-4-methyl-5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine has a molecular weight of 215.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-methyl-5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 170093351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).