6-(2-methylbutan-2-yl)-3-(trifluoromethyl)-2,3-dihydropyridine

C11H16F3N — CID 148840340

IUPAC6-(2-methylbutan-2-yl)-3-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCC(C)(C)C1=NCC(C(F)(F)F)C=C1
InChIInChI=1S/C11H16F3N/c1-4-10(2,3)9-6-5-8(7-15-9)11(12,13)14/h5-6,8H,4,7H2,1-3H3
InChIKeyOVKQLBIGBQUTIK-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.61
Rot. Bonds2

About 6-(2-methylbutan-2-yl)-3-(trifluoromethyl)-2,3-dihydropyridine

6-(2-methylbutan-2-yl)-3-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 148840340) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-(2-methylbutan-2-yl)-3-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name6-(2-methylbutan-2-yl)-3-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID148840340
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name6-(2-methylbutan-2-yl)-3-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCC(C)(C)C1=NCC(C(F)(F)F)C=C1
InChIInChI=1S/C11H16F3N/c1-4-10(2,3)9-6-5-8(7-15-9)11(12,13)14/h5-6,8H,4,7H2,1-3H3
InChIKeyOVKQLBIGBQUTIK-UHFFFAOYSA-N
XLogP3.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutan-2-yl)-3-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 6-(2-methylbutan-2-yl)-3-(trifluoromethyl)-2,3-dihydropyridine (CID 148840340) is 6-(2-methylbutan-2-yl)-3-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 6-(2-methylbutan-2-yl)-3-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 6-(2-methylbutan-2-yl)-3-(trifluoromethyl)-2,3-dihydropyridine is CCC(C)(C)C1=NCC(C(F)(F)F)C=C1.
What is the InChIKey of 6-(2-methylbutan-2-yl)-3-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is OVKQLBIGBQUTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N/c1-4-10(2,3)9-6-5-8(7-15-9)11(12,13)14/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 6-(2-methylbutan-2-yl)-3-(trifluoromethyl)-2,3-dihydropyridine?
6-(2-methylbutan-2-yl)-3-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 219.25 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutan-2-yl)-3-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 148840340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).