[3,5-bis(trifluoromethyl)phenyl]-chloro-dimethylsilane

C10H9ClF6Si — CID 2783240

IUPAC[3,5-bis(trifluoromethyl)phenyl]-chloro-dimethylsilane
SMILESC[Si](C)(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF6Si/c1-18(2,11)8-4-6(9(12,13)14)3-7(5-8)10(15,16)17/h3-5H,1-2H3
InChIKeyJZWDIKPZWMXPMG-UHFFFAOYSA-N
MW306.71 g/mol
LogP4.38
Rot. Bonds1

About [3,5-bis(trifluoromethyl)phenyl]-chloro-dimethylsilane

[3,5-bis(trifluoromethyl)phenyl]-chloro-dimethylsilane (PubChem CID 2783240) has the molecular formula C10H9ClF6Si and a molecular weight of 306.71 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-chloro-dimethylsilane.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-chloro-dimethylsilane
PubChem CID2783240
Molecular FormulaC10H9ClF6Si
Molecular Weight306.71 g/mol
Exact Mass306.01
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-chloro-dimethylsilane
SMILESC[Si](C)(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF6Si/c1-18(2,11)8-4-6(9(12,13)14)3-7(5-8)10(15,16)17/h3-5H,1-2H3
InChIKeyJZWDIKPZWMXPMG-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 54.38
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 [3,5-bis(trifluoromethyl)phenyl]-chloro-dimethylsilane?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-chloro-dimethylsilane (CID 2783240) is [3,5-bis(trifluoromethyl)phenyl]-chloro-dimethylsilane.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-chloro-dimethylsilane?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-chloro-dimethylsilane is C[Si](C)(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-chloro-dimethylsilane?
The InChIKey is JZWDIKPZWMXPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF6Si/c1-18(2,11)8-4-6(9(12,13)14)3-7(5-8)10(15,16)17/h3-5H,1-2H3.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-chloro-dimethylsilane?
[3,5-bis(trifluoromethyl)phenyl]-chloro-dimethylsilane has a molecular weight of 306.71 g/mol, XLogP of 4.38, 1 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]-chloro-dimethylsilane is sourced from PubChem (CID 2783240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).