N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-2,2,2-trifluoroethanamine

C15H23Cl2F3N2OSi — CID 123509400

IUPACN-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-2,2,2-trifluoroethanamine
SMILESCC[Si](CC)(CC)OC(CNCC(F)(F)F)c1c(Cl)cncc1Cl
InChIInChI=1S/C15H23Cl2F3N2OSi/c1-4-24(5-2,6-3)23-13(9-22-10-15(18,19)20)14-11(16)7-21-8-12(14)17/h7-8,13,22H,4-6,9-10H2,1-3H3
InChIKeyGIHGRIPCSHCIGB-UHFFFAOYSA-N
MW403.35 g/mol
LogP5.60
Rot. Bonds9

About N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-2,2,2-trifluoroethanamine

N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-2,2,2-trifluoroethanamine (PubChem CID 123509400) has the molecular formula C15H23Cl2F3N2OSi and a molecular weight of 403.35 g/mol. Its IUPAC name is N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-2,2,2-trifluoroethanamine
PubChem CID123509400
Molecular FormulaC15H23Cl2F3N2OSi
Molecular Weight403.35 g/mol
Exact Mass402.09
IUPAC NameN-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-2,2,2-trifluoroethanamine
SMILESCC[Si](CC)(CC)OC(CNCC(F)(F)F)c1c(Cl)cncc1Cl
InChIInChI=1S/C15H23Cl2F3N2OSi/c1-4-24(5-2,6-3)23-13(9-22-10-15(18,19)20)14-11(16)7-21-8-12(14)17/h7-8,13,22H,4-6,9-10H2,1-3H3
InChIKeyGIHGRIPCSHCIGB-UHFFFAOYSA-N
XLogP5.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.35
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-2,2,2-trifluoroethanamine (CID 123509400) is N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-2,2,2-trifluoroethanamine is CC[Si](CC)(CC)OC(CNCC(F)(F)F)c1c(Cl)cncc1Cl.
What is the InChIKey of N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-2,2,2-trifluoroethanamine?
The InChIKey is GIHGRIPCSHCIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2F3N2OSi/c1-4-24(5-2,6-3)23-13(9-22-10-15(18,19)20)14-11(16)7-21-8-12(14)17/h7-8,13,22H,4-6,9-10H2,1-3H3.
What are the key properties of N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-2,2,2-trifluoroethanamine?
N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-2,2,2-trifluoroethanamine has a molecular weight of 403.35 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 123509400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).