trimethyl-[2-[4-(trifluoromethyl)cyclohexen-1-yl]ethynyl]silane

C12H17F3Si — CID 171649975

IUPACtrimethyl-[2-[4-(trifluoromethyl)cyclohexen-1-yl]ethynyl]silane
SMILESC[Si](C)(C)C#CC1=CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3Si/c1-16(2,3)9-8-10-4-6-11(7-5-10)12(13,14)15/h4,11H,5-7H2,1-3H3
InChIKeyKTPWYDUMYOEURB-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.16
Rot. Bonds

About trimethyl-[2-[4-(trifluoromethyl)cyclohexen-1-yl]ethynyl]silane

trimethyl-[2-[4-(trifluoromethyl)cyclohexen-1-yl]ethynyl]silane (PubChem CID 171649975) has the molecular formula C12H17F3Si and a molecular weight of 246.35 g/mol. Its IUPAC name is trimethyl-[2-[4-(trifluoromethyl)cyclohexen-1-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[4-(trifluoromethyl)cyclohexen-1-yl]ethynyl]silane
PubChem CID171649975
Molecular FormulaC12H17F3Si
Molecular Weight246.35 g/mol
Exact Mass246.11
IUPAC Nametrimethyl-[2-[4-(trifluoromethyl)cyclohexen-1-yl]ethynyl]silane
SMILESC[Si](C)(C)C#CC1=CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3Si/c1-16(2,3)9-8-10-4-6-11(7-5-10)12(13,14)15/h4,11H,5-7H2,1-3H3
InChIKeyKTPWYDUMYOEURB-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[4-(trifluoromethyl)cyclohexen-1-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[4-(trifluoromethyl)cyclohexen-1-yl]ethynyl]silane (CID 171649975) is trimethyl-[2-[4-(trifluoromethyl)cyclohexen-1-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[4-(trifluoromethyl)cyclohexen-1-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[4-(trifluoromethyl)cyclohexen-1-yl]ethynyl]silane is C[Si](C)(C)C#CC1=CCC(C(F)(F)F)CC1.
What is the InChIKey of trimethyl-[2-[4-(trifluoromethyl)cyclohexen-1-yl]ethynyl]silane?
The InChIKey is KTPWYDUMYOEURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3Si/c1-16(2,3)9-8-10-4-6-11(7-5-10)12(13,14)15/h4,11H,5-7H2,1-3H3.
What are the key properties of trimethyl-[2-[4-(trifluoromethyl)cyclohexen-1-yl]ethynyl]silane?
trimethyl-[2-[4-(trifluoromethyl)cyclohexen-1-yl]ethynyl]silane has a molecular weight of 246.35 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-(trifluoromethyl)cyclohexen-1-yl]ethynyl]silane is sourced from PubChem (CID 171649975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).