2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine

C14H14F3N — CID 70400717

IUPAC2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine
SMILESCC1=CC(c2ccccc2C(F)(F)F)C=C(C)N1
InChIInChI=1S/C14H14F3N/c1-9-7-11(8-10(2)18-9)12-5-3-4-6-13(12)14(15,16)17/h3-8,11,18H,1-2H3
InChIKeyMFKAPTNFWDVKTN-UHFFFAOYSA-N
MW253.27 g/mol
LogP4.20
Rot. Bonds1

About 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine

2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine (PubChem CID 70400717) has the molecular formula C14H14F3N and a molecular weight of 253.27 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine
PubChem CID70400717
Molecular FormulaC14H14F3N
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine
SMILESCC1=CC(c2ccccc2C(F)(F)F)C=C(C)N1
InChIInChI=1S/C14H14F3N/c1-9-7-11(8-10(2)18-9)12-5-3-4-6-13(12)14(15,16)17/h3-8,11,18H,1-2H3
InChIKeyMFKAPTNFWDVKTN-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine?
The IUPAC name of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine (CID 70400717) is 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine.
What is the SMILES notation for 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine?
The canonical SMILES for 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine is CC1=CC(c2ccccc2C(F)(F)F)C=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine?
The InChIKey is MFKAPTNFWDVKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N/c1-9-7-11(8-10(2)18-9)12-5-3-4-6-13(12)14(15,16)17/h3-8,11,18H,1-2H3.
What are the key properties of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine?
2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine has a molecular weight of 253.27 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine is sourced from PubChem (CID 70400717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).