2-methyl-6-(trifluoromethyl)-3,4-dihydropyridine

C7H8F3N — CID 91155360

IUPAC2-methyl-6-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=NC(C(F)(F)F)=CCC1
InChIInChI=1S/C7H8F3N/c1-5-3-2-4-6(11-5)7(8,9)10/h4H,2-3H2,1H3
InChIKeyKSAGUTBQKCMQRW-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.69
Rot. Bonds

About 2-methyl-6-(trifluoromethyl)-3,4-dihydropyridine

2-methyl-6-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 91155360) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID91155360
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name2-methyl-6-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=NC(C(F)(F)F)=CCC1
InChIInChI=1S/C7H8F3N/c1-5-3-2-4-6(11-5)7(8,9)10/h4H,2-3H2,1H3
InChIKeyKSAGUTBQKCMQRW-UHFFFAOYSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-3,4-dihydropyridine (CID 91155360) is 2-methyl-6-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-3,4-dihydropyridine is CC1=NC(C(F)(F)F)=CCC1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is KSAGUTBQKCMQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-5-3-2-4-6(11-5)7(8,9)10/h4H,2-3H2,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)-3,4-dihydropyridine?
2-methyl-6-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 163.14 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 91155360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).