trimethyl-[3-[4-(trifluoromethyl)phenyl]cyclohexa-1,4-dien-1-yl]silane

C16H19F3Si — CID 25022896

IUPACtrimethyl-[3-[4-(trifluoromethyl)phenyl]cyclohexa-1,4-dien-1-yl]silane
SMILESC[Si](C)(C)C1=CC(c2ccc(C(F)(F)F)cc2)C=CC1
InChIInChI=1S/C16H19F3Si/c1-20(2,3)15-6-4-5-13(11-15)12-7-9-14(10-8-12)16(17,18)19/h4-5,7-11,13H,6H2,1-3H3
InChIKeyYAUNELUVAQFMSC-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.55
Rot. Bonds2

About trimethyl-[3-[4-(trifluoromethyl)phenyl]cyclohexa-1,4-dien-1-yl]silane

trimethyl-[3-[4-(trifluoromethyl)phenyl]cyclohexa-1,4-dien-1-yl]silane (PubChem CID 25022896) has the molecular formula C16H19F3Si and a molecular weight of 296.41 g/mol. Its IUPAC name is trimethyl-[3-[4-(trifluoromethyl)phenyl]cyclohexa-1,4-dien-1-yl]silane.

Molecular Properties

Compound Nametrimethyl-[3-[4-(trifluoromethyl)phenyl]cyclohexa-1,4-dien-1-yl]silane
PubChem CID25022896
Molecular FormulaC16H19F3Si
Molecular Weight296.41 g/mol
Exact Mass296.12
IUPAC Nametrimethyl-[3-[4-(trifluoromethyl)phenyl]cyclohexa-1,4-dien-1-yl]silane
SMILESC[Si](C)(C)C1=CC(c2ccc(C(F)(F)F)cc2)C=CC1
InChIInChI=1S/C16H19F3Si/c1-20(2,3)15-6-4-5-13(11-15)12-7-9-14(10-8-12)16(17,18)19/h4-5,7-11,13H,6H2,1-3H3
InChIKeyYAUNELUVAQFMSC-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[4-(trifluoromethyl)phenyl]cyclohexa-1,4-dien-1-yl]silane?
The IUPAC name of trimethyl-[3-[4-(trifluoromethyl)phenyl]cyclohexa-1,4-dien-1-yl]silane (CID 25022896) is trimethyl-[3-[4-(trifluoromethyl)phenyl]cyclohexa-1,4-dien-1-yl]silane.
What is the SMILES notation for trimethyl-[3-[4-(trifluoromethyl)phenyl]cyclohexa-1,4-dien-1-yl]silane?
The canonical SMILES for trimethyl-[3-[4-(trifluoromethyl)phenyl]cyclohexa-1,4-dien-1-yl]silane is C[Si](C)(C)C1=CC(c2ccc(C(F)(F)F)cc2)C=CC1.
What is the InChIKey of trimethyl-[3-[4-(trifluoromethyl)phenyl]cyclohexa-1,4-dien-1-yl]silane?
The InChIKey is YAUNELUVAQFMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3Si/c1-20(2,3)15-6-4-5-13(11-15)12-7-9-14(10-8-12)16(17,18)19/h4-5,7-11,13H,6H2,1-3H3.
What are the key properties of trimethyl-[3-[4-(trifluoromethyl)phenyl]cyclohexa-1,4-dien-1-yl]silane?
trimethyl-[3-[4-(trifluoromethyl)phenyl]cyclohexa-1,4-dien-1-yl]silane has a molecular weight of 296.41 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[4-(trifluoromethyl)phenyl]cyclohexa-1,4-dien-1-yl]silane is sourced from PubChem (CID 25022896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).