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

C11H16F3N — CID 170025585

IUPAC3-tert-butyl-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1N=CC(C(F)(F)F)=CC1C(C)(C)C
InChIInChI=1S/C11H16F3N/c1-7-9(10(2,3)4)5-8(6-15-7)11(12,13)14/h5-7,9H,1-4H3
InChIKeyDVDNHSINHFNMSB-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.61
Rot. Bonds

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

3-tert-butyl-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 170025585) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-tert-butyl-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name3-tert-butyl-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID170025585
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name3-tert-butyl-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1N=CC(C(F)(F)F)=CC1C(C)(C)C
InChIInChI=1S/C11H16F3N/c1-7-9(10(2,3)4)5-8(6-15-7)11(12,13)14/h5-7,9H,1-4H3
InChIKeyDVDNHSINHFNMSB-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 3-tert-butyl-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine (CID 170025585) is 3-tert-butyl-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 3-tert-butyl-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 3-tert-butyl-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine is CC1N=CC(C(F)(F)F)=CC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is DVDNHSINHFNMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N/c1-7-9(10(2,3)4)5-8(6-15-7)11(12,13)14/h5-7,9H,1-4H3.
What are the key properties of 3-tert-butyl-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine?
3-tert-butyl-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 219.25 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 170025585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).