chloro-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-dimethylsilane

C7H13ClF4OSi — CID 54384040

IUPACchloro-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-dimethylsilane
SMILESCCOCC(F)(F)C(F)(F)[Si](C)(C)Cl
InChIInChI=1S/C7H13ClF4OSi/c1-4-13-5-6(9,10)7(11,12)14(2,3)8/h4-5H2,1-3H3
InChIKeyVBZBLNDLUOCCTG-UHFFFAOYSA-N
MW252.71 g/mol
LogP3.28
Rot. Bonds5

About chloro-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-dimethylsilane

chloro-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-dimethylsilane (PubChem CID 54384040) has the molecular formula C7H13ClF4OSi and a molecular weight of 252.71 g/mol. Its IUPAC name is chloro-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-dimethylsilane.

Molecular Properties

Compound Namechloro-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-dimethylsilane
PubChem CID54384040
Molecular FormulaC7H13ClF4OSi
Molecular Weight252.71 g/mol
Exact Mass252.04
IUPAC Namechloro-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-dimethylsilane
SMILESCCOCC(F)(F)C(F)(F)[Si](C)(C)Cl
InChIInChI=1S/C7H13ClF4OSi/c1-4-13-5-6(9,10)7(11,12)14(2,3)8/h4-5H2,1-3H3
InChIKeyVBZBLNDLUOCCTG-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-dimethylsilane?
The IUPAC name of chloro-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-dimethylsilane (CID 54384040) is chloro-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-dimethylsilane.
What is the SMILES notation for chloro-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-dimethylsilane?
The canonical SMILES for chloro-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-dimethylsilane is CCOCC(F)(F)C(F)(F)[Si](C)(C)Cl.
What is the InChIKey of chloro-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-dimethylsilane?
The InChIKey is VBZBLNDLUOCCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClF4OSi/c1-4-13-5-6(9,10)7(11,12)14(2,3)8/h4-5H2,1-3H3.
What are the key properties of chloro-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-dimethylsilane?
chloro-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-dimethylsilane has a molecular weight of 252.71 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-dimethylsilane is sourced from PubChem (CID 54384040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).