tert-butyl-dimethoxy-(3,3,3-trifluoropropyl)silane

C9H19F3O2Si — CID 19900044

IUPACtert-butyl-dimethoxy-(3,3,3-trifluoropropyl)silane
SMILESCO[Si](CCC(F)(F)F)(OC)C(C)(C)C
InChIInChI=1S/C9H19F3O2Si/c1-8(2,3)15(13-4,14-5)7-6-9(10,11)12/h6-7H2,1-5H3
InChIKeyCSBXJQZQXSFCHS-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.47
Rot. Bonds4

About tert-butyl-dimethoxy-(3,3,3-trifluoropropyl)silane

tert-butyl-dimethoxy-(3,3,3-trifluoropropyl)silane (PubChem CID 19900044) has the molecular formula C9H19F3O2Si and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl-dimethoxy-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Nametert-butyl-dimethoxy-(3,3,3-trifluoropropyl)silane
PubChem CID19900044
Molecular FormulaC9H19F3O2Si
Molecular Weight244.33 g/mol
Exact Mass244.11
IUPAC Nametert-butyl-dimethoxy-(3,3,3-trifluoropropyl)silane
SMILESCO[Si](CCC(F)(F)F)(OC)C(C)(C)C
InChIInChI=1S/C9H19F3O2Si/c1-8(2,3)15(13-4,14-5)7-6-9(10,11)12/h6-7H2,1-5H3
InChIKeyCSBXJQZQXSFCHS-UHFFFAOYSA-N
XLogP3.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethoxy-(3,3,3-trifluoropropyl)silane?
The IUPAC name of tert-butyl-dimethoxy-(3,3,3-trifluoropropyl)silane (CID 19900044) is tert-butyl-dimethoxy-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for tert-butyl-dimethoxy-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for tert-butyl-dimethoxy-(3,3,3-trifluoropropyl)silane is CO[Si](CCC(F)(F)F)(OC)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethoxy-(3,3,3-trifluoropropyl)silane?
The InChIKey is CSBXJQZQXSFCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3O2Si/c1-8(2,3)15(13-4,14-5)7-6-9(10,11)12/h6-7H2,1-5H3.
What are the key properties of tert-butyl-dimethoxy-(3,3,3-trifluoropropyl)silane?
tert-butyl-dimethoxy-(3,3,3-trifluoropropyl)silane has a molecular weight of 244.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethoxy-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 19900044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).