6-[1-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trifluoroethyl]pyridin-3-amine

C13H21F3N2OSi — CID 175535993

IUPAC6-[1-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trifluoroethyl]pyridin-3-amine
SMILESCC(C)(C)[Si](C)(C)OC(F)(c1ccc(N)cn1)C(F)F
InChIInChI=1S/C13H21F3N2OSi/c1-12(2,3)20(4,5)19-13(16,11(14)15)10-7-6-9(17)8-18-10/h6-8,11H,17H2,1-5H3
InChIKeyJPAJKVGMDUJAOD-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.07
Rot. Bonds4

About 6-[1-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trifluoroethyl]pyridin-3-amine

6-[1-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trifluoroethyl]pyridin-3-amine (PubChem CID 175535993) has the molecular formula C13H21F3N2OSi and a molecular weight of 306.40 g/mol. Its IUPAC name is 6-[1-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trifluoroethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[1-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trifluoroethyl]pyridin-3-amine
PubChem CID175535993
Molecular FormulaC13H21F3N2OSi
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name6-[1-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trifluoroethyl]pyridin-3-amine
SMILESCC(C)(C)[Si](C)(C)OC(F)(c1ccc(N)cn1)C(F)F
InChIInChI=1S/C13H21F3N2OSi/c1-12(2,3)20(4,5)19-13(16,11(14)15)10-7-6-9(17)8-18-10/h6-8,11H,17H2,1-5H3
InChIKeyJPAJKVGMDUJAOD-UHFFFAOYSA-N
XLogP4.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.07
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 6-[1-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trifluoroethyl]pyridin-3-amine?
The IUPAC name of 6-[1-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trifluoroethyl]pyridin-3-amine (CID 175535993) is 6-[1-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trifluoroethyl]pyridin-3-amine.
What is the SMILES notation for 6-[1-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trifluoroethyl]pyridin-3-amine?
The canonical SMILES for 6-[1-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trifluoroethyl]pyridin-3-amine is CC(C)(C)[Si](C)(C)OC(F)(c1ccc(N)cn1)C(F)F.
What is the InChIKey of 6-[1-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trifluoroethyl]pyridin-3-amine?
The InChIKey is JPAJKVGMDUJAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2OSi/c1-12(2,3)20(4,5)19-13(16,11(14)15)10-7-6-9(17)8-18-10/h6-8,11H,17H2,1-5H3.
What are the key properties of 6-[1-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trifluoroethyl]pyridin-3-amine?
6-[1-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trifluoroethyl]pyridin-3-amine has a molecular weight of 306.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trifluoroethyl]pyridin-3-amine is sourced from PubChem (CID 175535993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).