[3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane

C21H18F6Si — CID 88592546

IUPAC[3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane
SMILESC[Si](C)(C1=C(c2ccccc2)C=CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H18F6Si/c1-28(2,19-10-6-9-18(19)14-7-4-3-5-8-14)17-12-15(20(22,23)24)11-16(13-17)21(25,26)27/h3-9,11-13H,10H2,1-2H3
InChIKeyRTNXUULVGJPZEQ-UHFFFAOYSA-N
MW412.45 g/mol
LogP6.59
Rot. Bonds3

About [3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane

[3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 88592546) has the molecular formula C21H18F6Si and a molecular weight of 412.45 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane
PubChem CID88592546
Molecular FormulaC21H18F6Si
Molecular Weight412.45 g/mol
Exact Mass412.11
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane
SMILESC[Si](C)(C1=C(c2ccccc2)C=CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H18F6Si/c1-28(2,19-10-6-9-18(19)14-7-4-3-5-8-14)17-12-15(20(22,23)24)11-16(13-17)21(25,26)27/h3-9,11-13H,10H2,1-2H3
InChIKeyRTNXUULVGJPZEQ-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)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 [3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane (CID 88592546) is [3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane is C[Si](C)(C1=C(c2ccccc2)C=CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is RTNXUULVGJPZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F6Si/c1-28(2,19-10-6-9-18(19)14-7-4-3-5-8-14)17-12-15(20(22,23)24)11-16(13-17)21(25,26)27/h3-9,11-13H,10H2,1-2H3.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane?
[3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 412.45 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 88592546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).