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

C7H8F3N — CID 123506679

IUPAC4-methyl-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1=CC(C(F)(F)F)=NCC1
InChIInChI=1S/C7H8F3N/c1-5-2-3-11-6(4-5)7(8,9)10/h4H,2-3H2,1H3
InChIKeyMEMQYTBOHITNEX-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.34
Rot. Bonds

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

4-methyl-6-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 123506679) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID123506679
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name4-methyl-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1=CC(C(F)(F)F)=NCC1
InChIInChI=1S/C7H8F3N/c1-5-2-3-11-6(4-5)7(8,9)10/h4H,2-3H2,1H3
InChIKeyMEMQYTBOHITNEX-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole
CID 58326592
3-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 67489736
4-Ethyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 70307572
(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole
CID 89101610
3-Fluoro-6-methyl-2,3-dihydropyridine
CID 89932263
2-Fluoro-4-methyl-2,3-dihydropyridine
CID 90817887
3-Ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 90820070
N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine
CID 91344076
6-(Difluoromethyl)-3-ethyl-5-methyl-2,3-dihydropyridine
CID 91353665
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 4-methyl-6-(trifluoromethyl)-2,3-dihydropyridine (CID 123506679) is 4-methyl-6-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 4-methyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 4-methyl-6-(trifluoromethyl)-2,3-dihydropyridine is CC1=CC(C(F)(F)F)=NCC1.
What is the InChIKey of 4-methyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is MEMQYTBOHITNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-5-2-3-11-6(4-5)7(8,9)10/h4H,2-3H2,1H3.
What are the key properties of 4-methyl-6-(trifluoromethyl)-2,3-dihydropyridine?
4-methyl-6-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 163.14 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 123506679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).