2-(3,5-dichloro-4-pyridinyl)-N-[(3,3-difluorocyclobutyl)methyl]-2-triethylsilyloxyethanamine

C18H28Cl2F2N2OSi — CID 123420625

IUPAC2-(3,5-dichloro-4-pyridinyl)-N-[(3,3-difluorocyclobutyl)methyl]-2-triethylsilyloxyethanamine
SMILESCC[Si](CC)(CC)OC(CNCC1CC(F)(F)C1)c1c(Cl)cncc1Cl
InChIInChI=1S/C18H28Cl2F2N2OSi/c1-4-26(5-2,6-3)25-16(17-14(19)10-24-11-15(17)20)12-23-9-13-7-18(21,22)8-13/h10-11,13,16,23H,4-9,12H2,1-3H3
InChIKeyWMCUOYAOKGCHTF-UHFFFAOYSA-N
MW425.42 g/mol
LogP6.09
Rot. Bonds10

About 2-(3,5-dichloro-4-pyridinyl)-N-[(3,3-difluorocyclobutyl)methyl]-2-triethylsilyloxyethanamine

2-(3,5-dichloro-4-pyridinyl)-N-[(3,3-difluorocyclobutyl)methyl]-2-triethylsilyloxyethanamine (PubChem CID 123420625) has the molecular formula C18H28Cl2F2N2OSi and a molecular weight of 425.42 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-N-[(3,3-difluorocyclobutyl)methyl]-2-triethylsilyloxyethanamine.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-N-[(3,3-difluorocyclobutyl)methyl]-2-triethylsilyloxyethanamine
PubChem CID123420625
Molecular FormulaC18H28Cl2F2N2OSi
Molecular Weight425.42 g/mol
Exact Mass424.13
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-N-[(3,3-difluorocyclobutyl)methyl]-2-triethylsilyloxyethanamine
SMILESCC[Si](CC)(CC)OC(CNCC1CC(F)(F)C1)c1c(Cl)cncc1Cl
InChIInChI=1S/C18H28Cl2F2N2OSi/c1-4-26(5-2,6-3)25-16(17-14(19)10-24-11-15(17)20)12-23-9-13-7-18(21,22)8-13/h10-11,13,16,23H,4-9,12H2,1-3H3
InChIKeyWMCUOYAOKGCHTF-UHFFFAOYSA-N
XLogP6.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.42
LogP ≤ 56.09
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 2-(3,5-dichloro-4-pyridinyl)-N-[(3,3-difluorocyclobutyl)methyl]-2-triethylsilyloxyethanamine?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-N-[(3,3-difluorocyclobutyl)methyl]-2-triethylsilyloxyethanamine (CID 123420625) is 2-(3,5-dichloro-4-pyridinyl)-N-[(3,3-difluorocyclobutyl)methyl]-2-triethylsilyloxyethanamine.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-N-[(3,3-difluorocyclobutyl)methyl]-2-triethylsilyloxyethanamine?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-N-[(3,3-difluorocyclobutyl)methyl]-2-triethylsilyloxyethanamine is CC[Si](CC)(CC)OC(CNCC1CC(F)(F)C1)c1c(Cl)cncc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-N-[(3,3-difluorocyclobutyl)methyl]-2-triethylsilyloxyethanamine?
The InChIKey is WMCUOYAOKGCHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28Cl2F2N2OSi/c1-4-26(5-2,6-3)25-16(17-14(19)10-24-11-15(17)20)12-23-9-13-7-18(21,22)8-13/h10-11,13,16,23H,4-9,12H2,1-3H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-N-[(3,3-difluorocyclobutyl)methyl]-2-triethylsilyloxyethanamine?
2-(3,5-dichloro-4-pyridinyl)-N-[(3,3-difluorocyclobutyl)methyl]-2-triethylsilyloxyethanamine has a molecular weight of 425.42 g/mol, XLogP of 6.09, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-N-[(3,3-difluorocyclobutyl)methyl]-2-triethylsilyloxyethanamine is sourced from PubChem (CID 123420625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).