[6-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5,9-tetraen-10-yl]oxy-trimethylsilane

C20H20F4N2O3SSi — CID 59268879

IUPAC[6-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5,9-tetraen-10-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=CC2c3c(F)cccc3C(C1)N2S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H20F4N2O3SSi/c1-31(2,3)29-12-9-16-14-5-4-6-15(21)19(14)17(10-12)26(16)30(27,28)13-7-8-18(25-11-13)20(22,23)24/h4-8,10-11,16-17H,9H2,1-3H3
InChIKeyPTENIWLYQFLDQC-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.17
Rot. Bonds4

About [6-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5,9-tetraen-10-yl]oxy-trimethylsilane

[6-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5,9-tetraen-10-yl]oxy-trimethylsilane (PubChem CID 59268879) has the molecular formula C20H20F4N2O3SSi and a molecular weight of 472.54 g/mol. Its IUPAC name is [6-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5,9-tetraen-10-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[6-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5,9-tetraen-10-yl]oxy-trimethylsilane
PubChem CID59268879
Molecular FormulaC20H20F4N2O3SSi
Molecular Weight472.54 g/mol
Exact Mass472.09
IUPAC Name[6-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5,9-tetraen-10-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=CC2c3c(F)cccc3C(C1)N2S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H20F4N2O3SSi/c1-31(2,3)29-12-9-16-14-5-4-6-15(21)19(14)17(10-12)26(16)30(27,28)13-7-8-18(25-11-13)20(22,23)24/h4-8,10-11,16-17H,9H2,1-3H3
InChIKeyPTENIWLYQFLDQC-UHFFFAOYSA-N
XLogP5.17
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [6-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5,9-tetraen-10-yl]oxy-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5,9-tetraen-10-yl]oxy-trimethylsilane?
The IUPAC name of [6-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5,9-tetraen-10-yl]oxy-trimethylsilane (CID 59268879) is [6-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5,9-tetraen-10-yl]oxy-trimethylsilane.
What is the SMILES notation for [6-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5,9-tetraen-10-yl]oxy-trimethylsilane?
The canonical SMILES for [6-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5,9-tetraen-10-yl]oxy-trimethylsilane is C[Si](C)(C)OC1=CC2c3c(F)cccc3C(C1)N2S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of [6-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5,9-tetraen-10-yl]oxy-trimethylsilane?
The InChIKey is PTENIWLYQFLDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O3SSi/c1-31(2,3)29-12-9-16-14-5-4-6-15(21)19(14)17(10-12)26(16)30(27,28)13-7-8-18(25-11-13)20(22,23)24/h4-8,10-11,16-17H,9H2,1-3H3.
What are the key properties of [6-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5,9-tetraen-10-yl]oxy-trimethylsilane?
[6-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5,9-tetraen-10-yl]oxy-trimethylsilane has a molecular weight of 472.54 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5,9-tetraen-10-yl]oxy-trimethylsilane is sourced from PubChem (CID 59268879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).