4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-prop-1-en-2-ylpyridin-3-amine

C17H28F2N2O2Si — CID 160607392

IUPAC4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-prop-1-en-2-ylpyridin-3-amine
SMILESC=C(C)c1nccc(OCC(F)(F)CO[Si](C)(C)C(C)(C)C)c1N
InChIInChI=1S/C17H28F2N2O2Si/c1-12(2)15-14(20)13(8-9-21-15)22-10-17(18,19)11-23-24(6,7)16(3,4)5/h8-9H,1,10-11,20H2,2-7H3
InChIKeyXLPZBYXEXCXHMK-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.73
Rot. Bonds7

About 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-prop-1-en-2-ylpyridin-3-amine

4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-prop-1-en-2-ylpyridin-3-amine (PubChem CID 160607392) has the molecular formula C17H28F2N2O2Si and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-prop-1-en-2-ylpyridin-3-amine.

Molecular Properties

Compound Name4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-prop-1-en-2-ylpyridin-3-amine
PubChem CID160607392
Molecular FormulaC17H28F2N2O2Si
Molecular Weight358.51 g/mol
Exact Mass358.19
IUPAC Name4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-prop-1-en-2-ylpyridin-3-amine
SMILESC=C(C)c1nccc(OCC(F)(F)CO[Si](C)(C)C(C)(C)C)c1N
InChIInChI=1S/C17H28F2N2O2Si/c1-12(2)15-14(20)13(8-9-21-15)22-10-17(18,19)11-23-24(6,7)16(3,4)5/h8-9H,1,10-11,20H2,2-7H3
InChIKeyXLPZBYXEXCXHMK-UHFFFAOYSA-N
XLogP4.73
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-prop-1-en-2-ylpyridin-3-amine?
The IUPAC name of 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-prop-1-en-2-ylpyridin-3-amine (CID 160607392) is 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-prop-1-en-2-ylpyridin-3-amine.
What is the SMILES notation for 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-prop-1-en-2-ylpyridin-3-amine?
The canonical SMILES for 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-prop-1-en-2-ylpyridin-3-amine is C=C(C)c1nccc(OCC(F)(F)CO[Si](C)(C)C(C)(C)C)c1N.
What is the InChIKey of 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-prop-1-en-2-ylpyridin-3-amine?
The InChIKey is XLPZBYXEXCXHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2N2O2Si/c1-12(2)15-14(20)13(8-9-21-15)22-10-17(18,19)11-23-24(6,7)16(3,4)5/h8-9H,1,10-11,20H2,2-7H3.
What are the key properties of 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-prop-1-en-2-ylpyridin-3-amine?
4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-prop-1-en-2-ylpyridin-3-amine has a molecular weight of 358.51 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-prop-1-en-2-ylpyridin-3-amine is sourced from PubChem (CID 160607392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).