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

C7H8F3N — CID 89130189

IUPAC6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=CCC(C(F)(F)F)C=N1
InChIInChI=1S/C7H8F3N/c1-5-2-3-6(4-11-5)7(8,9)10/h2,4,6H,3H2,1H3
InChIKeyFVOYKBHLLMQSAJ-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.54
Rot. Bonds

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

6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 89130189) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID89130189
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=CCC(C(F)(F)F)C=N1
InChIInChI=1S/C7H8F3N/c1-5-2-3-6(4-11-5)7(8,9)10/h2,4,6H,3H2,1H3
InChIKeyFVOYKBHLLMQSAJ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine (CID 89130189) is 6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine is CC1=CCC(C(F)(F)F)C=N1.
What is the InChIKey of 6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is FVOYKBHLLMQSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-5-2-3-6(4-11-5)7(8,9)10/h2,4,6H,3H2,1H3.
What are the key properties of 6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine?
6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 163.14 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 89130189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).