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

C10H14F3N — CID 162592169

IUPAC4-methyl-6-propan-2-yl-2-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1C=C(C(C)C)N=C(C(F)(F)F)C1
InChIInChI=1S/C10H14F3N/c1-6(2)8-4-7(3)5-9(14-8)10(11,12)13/h4,6-7H,5H2,1-3H3
InChIKeyAOTJGSLOZFFZHB-UHFFFAOYSA-N
MW205.22 g/mol
LogP3.57
Rot. Bonds1

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

4-methyl-6-propan-2-yl-2-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 162592169) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-2-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-2-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID162592169
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name4-methyl-6-propan-2-yl-2-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1C=C(C(C)C)N=C(C(F)(F)F)C1
InChIInChI=1S/C10H14F3N/c1-6(2)8-4-7(3)5-9(14-8)10(11,12)13/h4,6-7H,5H2,1-3H3
InChIKeyAOTJGSLOZFFZHB-UHFFFAOYSA-N
XLogP3.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yl-2-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 4-methyl-6-propan-2-yl-2-(trifluoromethyl)-3,4-dihydropyridine (CID 162592169) is 4-methyl-6-propan-2-yl-2-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 4-methyl-6-propan-2-yl-2-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 4-methyl-6-propan-2-yl-2-(trifluoromethyl)-3,4-dihydropyridine is CC1C=C(C(C)C)N=C(C(F)(F)F)C1.
What is the InChIKey of 4-methyl-6-propan-2-yl-2-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is AOTJGSLOZFFZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-6(2)8-4-7(3)5-9(14-8)10(11,12)13/h4,6-7H,5H2,1-3H3.
What are the key properties of 4-methyl-6-propan-2-yl-2-(trifluoromethyl)-3,4-dihydropyridine?
4-methyl-6-propan-2-yl-2-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 205.22 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yl-2-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 162592169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).