ethane;2-methyl-6-(trifluoromethyl)-1,2-dihydropyridine

C11H20F3N — CID 144521528

IUPACethane;2-methyl-6-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC.CC.CC1C=CC=C(C(F)(F)F)N1
InChIInChI=1S/C7H8F3N.2C2H6/c1-5-3-2-4-6(11-5)7(8,9)10;2*1-2/h2-5,11H,1H3;2*1-2H3
InChIKeyALMCOZKKOQVBCO-UHFFFAOYSA-N
MW223.28 g/mol
LogP4.03
Rot. Bonds

About ethane;2-methyl-6-(trifluoromethyl)-1,2-dihydropyridine

ethane;2-methyl-6-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 144521528) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is ethane;2-methyl-6-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Nameethane;2-methyl-6-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID144521528
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Nameethane;2-methyl-6-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC.CC.CC1C=CC=C(C(F)(F)F)N1
InChIInChI=1S/C7H8F3N.2C2H6/c1-5-3-2-4-6(11-5)7(8,9)10;2*1-2/h2-5,11H,1H3;2*1-2H3
InChIKeyALMCOZKKOQVBCO-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of ethane;2-methyl-6-(trifluoromethyl)-1,2-dihydropyridine (CID 144521528) is ethane;2-methyl-6-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for ethane;2-methyl-6-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for ethane;2-methyl-6-(trifluoromethyl)-1,2-dihydropyridine is CC.CC.CC1C=CC=C(C(F)(F)F)N1.
What is the InChIKey of ethane;2-methyl-6-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is ALMCOZKKOQVBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N.2C2H6/c1-5-3-2-4-6(11-5)7(8,9)10;2*1-2/h2-5,11H,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-6-(trifluoromethyl)-1,2-dihydropyridine?
ethane;2-methyl-6-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 223.28 g/mol, XLogP of 4.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 144521528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).