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

C10H14F3N — CID 123942790

IUPAC4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCCC1CC(C)=CC(C(F)(F)F)=N1
InChIInChI=1S/C10H14F3N/c1-3-4-8-5-7(2)6-9(14-8)10(11,12)13/h6,8H,3-5H2,1-2H3
InChIKeyHZTNYQOFRSCMSA-UHFFFAOYSA-N
MW205.22 g/mol
LogP3.51
Rot. Bonds2

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

4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 123942790) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID123942790
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCCC1CC(C)=CC(C(F)(F)F)=N1
InChIInChI=1S/C10H14F3N/c1-3-4-8-5-7(2)6-9(14-8)10(11,12)13/h6,8H,3-5H2,1-2H3
InChIKeyHZTNYQOFRSCMSA-UHFFFAOYSA-N
XLogP3.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Ethyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 70307572
N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine
CID 91344076
6-(Difluoromethyl)-3-ethyl-5-methyl-2,3-dihydropyridine
CID 91353665
4-Fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 91406813
4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine
CID 123180150
(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
CID 123185746
2-Butyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123371459
4-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123506679
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
6-(1,1-Difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine
CID 123923241
5-(1,1-Difluoroethyl)-2-propyl-2,3-dihydropyridine
CID 135197188
5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine
CID 146429564

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine (CID 123942790) is 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine is CCCC1CC(C)=CC(C(F)(F)F)=N1.
What is the InChIKey of 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is HZTNYQOFRSCMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-3-4-8-5-7(2)6-9(14-8)10(11,12)13/h6,8H,3-5H2,1-2H3.
What are the key properties of 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine?
4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 205.22 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 123942790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).