6-(difluoromethyl)-2,4-dimethyl-3,4-dihydropyridine

C8H11F2N — CID 89232799

IUPAC6-(difluoromethyl)-2,4-dimethyl-3,4-dihydropyridine
SMILESCC1=NC(C(F)F)=CC(C)C1
InChIInChI=1S/C8H11F2N/c1-5-3-6(2)11-7(4-5)8(9)10/h4-5,8H,3H2,1-2H3
InChIKeyVTWPIYHZRULZEK-UHFFFAOYSA-N
MW159.18 g/mol
LogP2.64
Rot. Bonds1

About 6-(difluoromethyl)-2,4-dimethyl-3,4-dihydropyridine

6-(difluoromethyl)-2,4-dimethyl-3,4-dihydropyridine (PubChem CID 89232799) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 6-(difluoromethyl)-2,4-dimethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-2,4-dimethyl-3,4-dihydropyridine
PubChem CID89232799
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name6-(difluoromethyl)-2,4-dimethyl-3,4-dihydropyridine
SMILESCC1=NC(C(F)F)=CC(C)C1
InChIInChI=1S/C8H11F2N/c1-5-3-6(2)11-7(4-5)8(9)10/h4-5,8H,3H2,1-2H3
InChIKeyVTWPIYHZRULZEK-UHFFFAOYSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2,4-dimethyl-3,4-dihydropyridine?
The IUPAC name of 6-(difluoromethyl)-2,4-dimethyl-3,4-dihydropyridine (CID 89232799) is 6-(difluoromethyl)-2,4-dimethyl-3,4-dihydropyridine.
What is the SMILES notation for 6-(difluoromethyl)-2,4-dimethyl-3,4-dihydropyridine?
The canonical SMILES for 6-(difluoromethyl)-2,4-dimethyl-3,4-dihydropyridine is CC1=NC(C(F)F)=CC(C)C1.
What is the InChIKey of 6-(difluoromethyl)-2,4-dimethyl-3,4-dihydropyridine?
The InChIKey is VTWPIYHZRULZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c1-5-3-6(2)11-7(4-5)8(9)10/h4-5,8H,3H2,1-2H3.
What are the key properties of 6-(difluoromethyl)-2,4-dimethyl-3,4-dihydropyridine?
6-(difluoromethyl)-2,4-dimethyl-3,4-dihydropyridine has a molecular weight of 159.18 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2,4-dimethyl-3,4-dihydropyridine is sourced from PubChem (CID 89232799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).