dibromo-[2-(trifluoromethyl)-5-trimethylsilylphenyl]phosphane

C10H12Br2F3PSi — CID 23135578

IUPACdibromo-[2-(trifluoromethyl)-5-trimethylsilylphenyl]phosphane
SMILESC[Si](C)(C)c1ccc(C(F)(F)F)c(P(Br)Br)c1
InChIInChI=1S/C10H12Br2F3PSi/c1-17(2,3)7-4-5-8(10(13,14)15)9(6-7)16(11)12/h4-6H,1-3H3
InChIKeyJVPZFCPVFBEINC-UHFFFAOYSA-N
MW408.07 g/mol
LogP4.98
Rot. Bonds2

About dibromo-[2-(trifluoromethyl)-5-trimethylsilylphenyl]phosphane

dibromo-[2-(trifluoromethyl)-5-trimethylsilylphenyl]phosphane (PubChem CID 23135578) has the molecular formula C10H12Br2F3PSi and a molecular weight of 408.07 g/mol. Its IUPAC name is dibromo-[2-(trifluoromethyl)-5-trimethylsilylphenyl]phosphane.

Molecular Properties

Compound Namedibromo-[2-(trifluoromethyl)-5-trimethylsilylphenyl]phosphane
PubChem CID23135578
Molecular FormulaC10H12Br2F3PSi
Molecular Weight408.07 g/mol
Exact Mass405.88
IUPAC Namedibromo-[2-(trifluoromethyl)-5-trimethylsilylphenyl]phosphane
SMILESC[Si](C)(C)c1ccc(C(F)(F)F)c(P(Br)Br)c1
InChIInChI=1S/C10H12Br2F3PSi/c1-17(2,3)7-4-5-8(10(13,14)15)9(6-7)16(11)12/h4-6H,1-3H3
InChIKeyJVPZFCPVFBEINC-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.07
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dibromo-[2-(trifluoromethyl)-5-trimethylsilylphenyl]phosphane 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 dibromo-[2-(trifluoromethyl)-5-trimethylsilylphenyl]phosphane?
The IUPAC name of dibromo-[2-(trifluoromethyl)-5-trimethylsilylphenyl]phosphane (CID 23135578) is dibromo-[2-(trifluoromethyl)-5-trimethylsilylphenyl]phosphane.
What is the SMILES notation for dibromo-[2-(trifluoromethyl)-5-trimethylsilylphenyl]phosphane?
The canonical SMILES for dibromo-[2-(trifluoromethyl)-5-trimethylsilylphenyl]phosphane is C[Si](C)(C)c1ccc(C(F)(F)F)c(P(Br)Br)c1.
What is the InChIKey of dibromo-[2-(trifluoromethyl)-5-trimethylsilylphenyl]phosphane?
The InChIKey is JVPZFCPVFBEINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2F3PSi/c1-17(2,3)7-4-5-8(10(13,14)15)9(6-7)16(11)12/h4-6H,1-3H3.
What are the key properties of dibromo-[2-(trifluoromethyl)-5-trimethylsilylphenyl]phosphane?
dibromo-[2-(trifluoromethyl)-5-trimethylsilylphenyl]phosphane has a molecular weight of 408.07 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo-[2-(trifluoromethyl)-5-trimethylsilylphenyl]phosphane is sourced from PubChem (CID 23135578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).