trimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane

C10H11F3N2Si — CID 171323949

IUPACtrimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2Si/c1-16(2,3)7-5-9-14-6-4-8(15-9)10(11,12)13/h4,6H,1-3H3
InChIKeyJISFTOODWOLALK-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.72
Rot. Bonds

About trimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane

trimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane (PubChem CID 171323949) has the molecular formula C10H11F3N2Si and a molecular weight of 244.29 g/mol. Its IUPAC name is trimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane
PubChem CID171323949
Molecular FormulaC10H11F3N2Si
Molecular Weight244.29 g/mol
Exact Mass244.06
IUPAC Nametrimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2Si/c1-16(2,3)7-5-9-14-6-4-8(15-9)10(11,12)13/h4,6H,1-3H3
InChIKeyJISFTOODWOLALK-UHFFFAOYSA-N
XLogP2.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane 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 trimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane (CID 171323949) is trimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane is C[Si](C)(C)C#Cc1nccc(C(F)(F)F)n1.
What is the InChIKey of trimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane?
The InChIKey is JISFTOODWOLALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2Si/c1-16(2,3)7-5-9-14-6-4-8(15-9)10(11,12)13/h4,6H,1-3H3.
What are the key properties of trimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane?
trimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane has a molecular weight of 244.29 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane is sourced from PubChem (CID 171323949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).