5-tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine

C11H16F3N — CID 143994943

IUPAC5-tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=C(C(C)(C)C)CCC(C(F)(F)F)=N1
InChIInChI=1S/C11H16F3N/c1-7-8(10(2,3)4)5-6-9(15-7)11(12,13)14/h5-6H2,1-4H3
InChIKeyYPYNCIMWEWIXQW-UHFFFAOYSA-N
MW219.25 g/mol
LogP4.10
Rot. Bonds

About 5-tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine

5-tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 143994943) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is 5-tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name5-tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID143994943
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name5-tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=C(C(C)(C)C)CCC(C(F)(F)F)=N1
InChIInChI=1S/C11H16F3N/c1-7-8(10(2,3)4)5-6-9(15-7)11(12,13)14/h5-6H2,1-4H3
InChIKeyYPYNCIMWEWIXQW-UHFFFAOYSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine
CID 123153350
4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine
CID 134451229
2,6-Dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 145086520
6-Ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine
CID 123617444
4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole
CID 146956504
5,6-Dimethyl-2-propan-2-yl-3,4-dihydropyridine
CID 163258787
5-Tert-butyl-2,6-dimethyl-3,4-dihydropyridine
CID 167187178
4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole
CID 170364646
4,5-ditert-butyl-2-propyl-3H-pyrrole
CID 20773256
4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole
CID 157256070
2,4-ditert-butyl-5-methyl-3H-pyrrole
CID 157514089

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 5-tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine (CID 143994943) is 5-tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 5-tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 5-tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine is CC1=C(C(C)(C)C)CCC(C(F)(F)F)=N1.
What is the InChIKey of 5-tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is YPYNCIMWEWIXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N/c1-7-8(10(2,3)4)5-6-9(15-7)11(12,13)14/h5-6H2,1-4H3.
What are the key properties of 5-tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine?
5-tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 219.25 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 143994943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).