6-methyl-2-(trifluoromethyl)-1,2-dihydropyridine

C7H8F3N — CID 126694951

IUPAC6-methyl-2-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC1=CC=CC(C(F)(F)F)N1
InChIInChI=1S/C7H8F3N/c1-5-3-2-4-6(11-5)7(8,9)10/h2-4,6,11H,1H3
InChIKeySPFHXNJUADQUQE-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.98
Rot. Bonds

About 6-methyl-2-(trifluoromethyl)-1,2-dihydropyridine

6-methyl-2-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 126694951) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 6-methyl-2-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-methyl-2-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID126694951
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name6-methyl-2-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC1=CC=CC(C(F)(F)F)N1
InChIInChI=1S/C7H8F3N/c1-5-3-2-4-6(11-5)7(8,9)10/h2-4,6,11H,1H3
InChIKeySPFHXNJUADQUQE-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Trifluoromethyl-1,2-dihydroazine
CID 18539792
2-Fluoropicoline
CID 69611625
Dihydrolutidin
CID 5245820
Dihydropicoline
CID 5246423
2,6-Bis(trifluoromethyl)-1,2-dihydropyridine
CID 19807243
2-(Fluoromethyl)-6-methyl-1,2-dihydropyridine
CID 70459541
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
3-fluoro-N-methylcyclohexa-1,5-dien-1-amine
CID 89291172
N-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 89313772
2-Methyl-5-(trifluoromethyl)-1,2-dihydropyridine
CID 89994792
5-Methyl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 90137192

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 6-methyl-2-(trifluoromethyl)-1,2-dihydropyridine (CID 126694951) is 6-methyl-2-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 6-methyl-2-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 6-methyl-2-(trifluoromethyl)-1,2-dihydropyridine is CC1=CC=CC(C(F)(F)F)N1.
What is the InChIKey of 6-methyl-2-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is SPFHXNJUADQUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-5-3-2-4-6(11-5)7(8,9)10/h2-4,6,11H,1H3.
What are the key properties of 6-methyl-2-(trifluoromethyl)-1,2-dihydropyridine?
6-methyl-2-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 163.14 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 126694951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).