6-ethoxy-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

C11H16F3N3O — CID 55006898

IUPAC6-ethoxy-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCCOc1nc(N(CC)CC(F)(F)F)ccc1N
InChIInChI=1S/C11H16F3N3O/c1-3-17(7-11(12,13)14)9-6-5-8(15)10(16-9)18-4-2/h5-6H,3-4,7,15H2,1-2H3
InChIKeyLTOIWVFAZLTOTO-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.45
Rot. Bonds5

About 6-ethoxy-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

6-ethoxy-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (PubChem CID 55006898) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-ethoxy-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
PubChem CID55006898
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name6-ethoxy-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCCOc1nc(N(CC)CC(F)(F)F)ccc1N
InChIInChI=1S/C11H16F3N3O/c1-3-17(7-11(12,13)14)9-6-5-8(15)10(16-9)18-4-2/h5-6H,3-4,7,15H2,1-2H3
InChIKeyLTOIWVFAZLTOTO-UHFFFAOYSA-N
XLogP2.45
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The IUPAC name of 6-ethoxy-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (CID 55006898) is 6-ethoxy-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-ethoxy-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-ethoxy-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is CCOc1nc(N(CC)CC(F)(F)F)ccc1N.
What is the InChIKey of 6-ethoxy-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The InChIKey is LTOIWVFAZLTOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-17(7-11(12,13)14)9-6-5-8(15)10(16-9)18-4-2/h5-6H,3-4,7,15H2,1-2H3.
What are the key properties of 6-ethoxy-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
6-ethoxy-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine has a molecular weight of 263.26 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is sourced from PubChem (CID 55006898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).