dichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane

C8H5Cl4F3Si — CID 131882417

IUPACdichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane
SMILESC[Si](Cl)(Cl)c1cc(Cl)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H5Cl4F3Si/c1-16(11,12)4-2-5(8(13,14)15)7(10)6(9)3-4/h2-3H,1H3
InChIKeyQNXMHUADLJYANV-UHFFFAOYSA-N
MW328.02 g/mol
LogP4.77
Rot. Bonds1

About dichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane

dichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane (PubChem CID 131882417) has the molecular formula C8H5Cl4F3Si and a molecular weight of 328.02 g/mol. Its IUPAC name is dichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane.

Molecular Properties

Compound Namedichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane
PubChem CID131882417
Molecular FormulaC8H5Cl4F3Si
Molecular Weight328.02 g/mol
Exact Mass325.89
IUPAC Namedichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane
SMILESC[Si](Cl)(Cl)c1cc(Cl)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H5Cl4F3Si/c1-16(11,12)4-2-5(8(13,14)15)7(10)6(9)3-4/h2-3H,1H3
InChIKeyQNXMHUADLJYANV-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.02
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane?
The IUPAC name of dichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane (CID 131882417) is dichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane.
What is the SMILES notation for dichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane?
The canonical SMILES for dichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane is C[Si](Cl)(Cl)c1cc(Cl)c(Cl)c(C(F)(F)F)c1.
What is the InChIKey of dichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane?
The InChIKey is QNXMHUADLJYANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl4F3Si/c1-16(11,12)4-2-5(8(13,14)15)7(10)6(9)3-4/h2-3H,1H3.
What are the key properties of dichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane?
dichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane has a molecular weight of 328.02 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane is sourced from PubChem (CID 131882417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).