6-(2,2-dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine

C17H28F3N — CID 123621058

IUPAC6-(2,2-dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine
SMILESCC(C)=CC1(C)CN(C)C(CC(C)(C)C)C=C1C(F)(F)F
InChIInChI=1S/C17H28F3N/c1-12(2)9-16(6)11-21(7)13(10-15(3,4)5)8-14(16)17(18,19)20/h8-9,13H,10-11H2,1-7H3
InChIKeyIIOLGPRCZBHSGT-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.20
Rot. Bonds2

About 6-(2,2-dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine

6-(2,2-dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine (PubChem CID 123621058) has the molecular formula C17H28F3N and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine
PubChem CID123621058
Molecular FormulaC17H28F3N
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC Name6-(2,2-dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine
SMILESCC(C)=CC1(C)CN(C)C(CC(C)(C)C)C=C1C(F)(F)F
InChIInChI=1S/C17H28F3N/c1-12(2)9-16(6)11-21(7)13(10-15(3,4)5)8-14(16)17(18,19)20/h8-9,13H,10-11H2,1-7H3
InChIKeyIIOLGPRCZBHSGT-UHFFFAOYSA-N
XLogP5.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-amine
CID 123386403
1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine
CID 142154455
N-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine
CID 146521581
4-tert-butyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 162475450
N-ethyl-N-[(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]propan-1-amine
CID 170059331
3,3-Difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine;ethane
CID 177353252
3,3-Difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine
CID 177353253
4-Tert-butyl-1-ethyl-3,3-difluoro-2,6-dihydropyridine;ethane
CID 177353445
1-propan-2-yl-4-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 117205518
1-propan-2-yl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 117205568
4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine
CID 130622205
4-Tert-butyl-1-ethyl-3,3-difluoro-2,6-dihydropyridine
CID 177353446

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine?
The IUPAC name of 6-(2,2-dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine (CID 123621058) is 6-(2,2-dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine?
The canonical SMILES for 6-(2,2-dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine is CC(C)=CC1(C)CN(C)C(CC(C)(C)C)C=C1C(F)(F)F.
What is the InChIKey of 6-(2,2-dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine?
The InChIKey is IIOLGPRCZBHSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3N/c1-12(2)9-16(6)11-21(7)13(10-15(3,4)5)8-14(16)17(18,19)20/h8-9,13H,10-11H2,1-7H3.
What are the key properties of 6-(2,2-dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine?
6-(2,2-dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine has a molecular weight of 303.41 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine is sourced from PubChem (CID 123621058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).