5-(2,5-dimethylphenyl)-6,6-difluoro-1,4-dimethyl-2,3-dihydropyridine

C15H19F2N — CID 143798765

IUPAC5-(2,5-dimethylphenyl)-6,6-difluoro-1,4-dimethyl-2,3-dihydropyridine
SMILESCC1=C(c2cc(C)ccc2C)C(F)(F)N(C)CC1
InChIInChI=1S/C15H19F2N/c1-10-5-6-11(2)13(9-10)14-12(3)7-8-18(4)15(14,16)17/h5-6,9H,7-8H2,1-4H3
InChIKeyFKYFBPSJQBGEJN-UHFFFAOYSA-N
MW251.32 g/mol
LogP4.01
Rot. Bonds1

About 5-(2,5-dimethylphenyl)-6,6-difluoro-1,4-dimethyl-2,3-dihydropyridine

5-(2,5-dimethylphenyl)-6,6-difluoro-1,4-dimethyl-2,3-dihydropyridine (PubChem CID 143798765) has the molecular formula C15H19F2N and a molecular weight of 251.32 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-6,6-difluoro-1,4-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-6,6-difluoro-1,4-dimethyl-2,3-dihydropyridine
PubChem CID143798765
Molecular FormulaC15H19F2N
Molecular Weight251.32 g/mol
Exact Mass251.15
IUPAC Name5-(2,5-dimethylphenyl)-6,6-difluoro-1,4-dimethyl-2,3-dihydropyridine
SMILESCC1=C(c2cc(C)ccc2C)C(F)(F)N(C)CC1
InChIInChI=1S/C15H19F2N/c1-10-5-6-11(2)13(9-10)14-12(3)7-8-18(4)15(14,16)17/h5-6,9H,7-8H2,1-4H3
InChIKeyFKYFBPSJQBGEJN-UHFFFAOYSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-6,6-difluoro-1,4-dimethyl-2,3-dihydropyridine?
The IUPAC name of 5-(2,5-dimethylphenyl)-6,6-difluoro-1,4-dimethyl-2,3-dihydropyridine (CID 143798765) is 5-(2,5-dimethylphenyl)-6,6-difluoro-1,4-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-6,6-difluoro-1,4-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 5-(2,5-dimethylphenyl)-6,6-difluoro-1,4-dimethyl-2,3-dihydropyridine is CC1=C(c2cc(C)ccc2C)C(F)(F)N(C)CC1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-6,6-difluoro-1,4-dimethyl-2,3-dihydropyridine?
The InChIKey is FKYFBPSJQBGEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N/c1-10-5-6-11(2)13(9-10)14-12(3)7-8-18(4)15(14,16)17/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 5-(2,5-dimethylphenyl)-6,6-difluoro-1,4-dimethyl-2,3-dihydropyridine?
5-(2,5-dimethylphenyl)-6,6-difluoro-1,4-dimethyl-2,3-dihydropyridine has a molecular weight of 251.32 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-6,6-difluoro-1,4-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 143798765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).