2-methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine

C10H14F3N — CID 123153350

IUPAC2-methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=NC(C(F)(F)F)=C(C(C)C)CC1
InChIInChI=1S/C10H14F3N/c1-6(2)8-5-4-7(3)14-9(8)10(11,12)13/h6H,4-5H2,1-3H3
InChIKeyNDRQQMOOBIIKLI-UHFFFAOYSA-N
MW205.22 g/mol
LogP3.71
Rot. Bonds1

About 2-methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine

2-methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 123153350) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID123153350
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name2-methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=NC(C(F)(F)F)=C(C(C)C)CC1
InChIInChI=1S/C10H14F3N/c1-6(2)8-5-4-7(3)14-9(8)10(11,12)13/h6H,4-5H2,1-3H3
InChIKeyNDRQQMOOBIIKLI-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 2-methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine (CID 123153350) is 2-methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 2-methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 2-methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine is CC1=NC(C(F)(F)F)=C(C(C)C)CC1.
What is the InChIKey of 2-methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is NDRQQMOOBIIKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-6(2)8-5-4-7(3)14-9(8)10(11,12)13/h6H,4-5H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine?
2-methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 205.22 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 123153350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).