ethane;6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C13H21F3N2 — CID 157042108

IUPACethane;6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC.CCC1CCc2nc(C)c(C(F)(F)F)n2C1
InChIInChI=1S/C11H15F3N2.C2H6/c1-3-8-4-5-9-15-7(2)10(11(12,13)14)16(9)6-8;1-2/h8H,3-6H2,1-2H3;1-2H3
InChIKeyUFFZXPDEVCPXAH-UHFFFAOYSA-N
MW262.32 g/mol
LogP4.21
Rot. Bonds1

About ethane;6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

ethane;6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 157042108) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is ethane;6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Nameethane;6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID157042108
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Nameethane;6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC.CCC1CCc2nc(C)c(C(F)(F)F)n2C1
InChIInChI=1S/C11H15F3N2.C2H6/c1-3-8-4-5-9-15-7(2)10(11(12,13)14)16(9)6-8;1-2/h8H,3-6H2,1-2H3;1-2H3
InChIKeyUFFZXPDEVCPXAH-UHFFFAOYSA-N
XLogP4.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of ethane;6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 157042108) is ethane;6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for ethane;6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for ethane;6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is CC.CCC1CCc2nc(C)c(C(F)(F)F)n2C1.
What is the InChIKey of ethane;6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is UFFZXPDEVCPXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2.C2H6/c1-3-8-4-5-9-15-7(2)10(11(12,13)14)16(9)6-8;1-2/h8H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
ethane;6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 262.32 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 157042108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).