tert-butyl-(2-chloro-4-methylphenyl)-difluorosilane

C11H15ClF2Si — CID 71378690

IUPACtert-butyl-(2-chloro-4-methylphenyl)-difluorosilane
SMILESCc1ccc([Si](F)(F)C(C)(C)C)c(Cl)c1
InChIInChI=1S/C11H15ClF2Si/c1-8-5-6-10(9(12)7-8)15(13,14)11(2,3)4/h5-7H,1-4H3
InChIKeyWIUQUHCSHHXREF-UHFFFAOYSA-N
MW248.78 g/mol
LogP4.04
Rot. Bonds1

About tert-butyl-(2-chloro-4-methylphenyl)-difluorosilane

tert-butyl-(2-chloro-4-methylphenyl)-difluorosilane (PubChem CID 71378690) has the molecular formula C11H15ClF2Si and a molecular weight of 248.78 g/mol. Its IUPAC name is tert-butyl-(2-chloro-4-methylphenyl)-difluorosilane.

Molecular Properties

Compound Nametert-butyl-(2-chloro-4-methylphenyl)-difluorosilane
PubChem CID71378690
Molecular FormulaC11H15ClF2Si
Molecular Weight248.78 g/mol
Exact Mass248.06
IUPAC Nametert-butyl-(2-chloro-4-methylphenyl)-difluorosilane
SMILESCc1ccc([Si](F)(F)C(C)(C)C)c(Cl)c1
InChIInChI=1S/C11H15ClF2Si/c1-8-5-6-10(9(12)7-8)15(13,14)11(2,3)4/h5-7H,1-4H3
InChIKeyWIUQUHCSHHXREF-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.78
LogP ≤ 54.04
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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Related Compounds

tert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane
CID 71378692
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
2-chloro-1-fluoro-4-methylbenzene;ethane
CID 142940012
2-chloro-1,4-dimethylbenzene;propane;1,1,1-trifluoroethane
CID 142937628
1,2-dichloro-4-methylbenzene;1,3-xylene
CID 158244707
2-(2-chloro-4-methylphenyl)propan-2-amine
CID 83696800
(2-chloro-4-methylphenyl)methylhydrazine
CID 106860884
2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene
CID 143200692
(2-chloro-4-methylphenyl) thiohypofluorite
CID 144706929
2,3-dichloro-6-methylnaphthalene
CID 21366530
2-chloro-4-methylaniline
CID 12007
2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol
CID 117288132

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-chloro-4-methylphenyl)-difluorosilane?
The IUPAC name of tert-butyl-(2-chloro-4-methylphenyl)-difluorosilane (CID 71378690) is tert-butyl-(2-chloro-4-methylphenyl)-difluorosilane.
What is the SMILES notation for tert-butyl-(2-chloro-4-methylphenyl)-difluorosilane?
The canonical SMILES for tert-butyl-(2-chloro-4-methylphenyl)-difluorosilane is Cc1ccc([Si](F)(F)C(C)(C)C)c(Cl)c1.
What is the InChIKey of tert-butyl-(2-chloro-4-methylphenyl)-difluorosilane?
The InChIKey is WIUQUHCSHHXREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF2Si/c1-8-5-6-10(9(12)7-8)15(13,14)11(2,3)4/h5-7H,1-4H3.
What are the key properties of tert-butyl-(2-chloro-4-methylphenyl)-difluorosilane?
tert-butyl-(2-chloro-4-methylphenyl)-difluorosilane has a molecular weight of 248.78 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-chloro-4-methylphenyl)-difluorosilane is sourced from PubChem (CID 71378690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).