(4-fluoro-2,3-dimethylbutan-2-yl)-dimethoxy-propan-2-ylsilane

C11H25FO2Si — CID 172849839

IUPAC(4-fluoro-2,3-dimethylbutan-2-yl)-dimethoxy-propan-2-ylsilane
SMILESCO[Si](OC)(C(C)C)C(C)(C)C(C)CF
InChIInChI=1S/C11H25FO2Si/c1-9(2)15(13-6,14-7)11(4,5)10(3)8-12/h9-10H,8H2,1-7H3
InChIKeyXXNXIBOLCOGPME-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.52
Rot. Bonds6

About (4-fluoro-2,3-dimethylbutan-2-yl)-dimethoxy-propan-2-ylsilane

(4-fluoro-2,3-dimethylbutan-2-yl)-dimethoxy-propan-2-ylsilane (PubChem CID 172849839) has the molecular formula C11H25FO2Si and a molecular weight of 236.40 g/mol. Its IUPAC name is (4-fluoro-2,3-dimethylbutan-2-yl)-dimethoxy-propan-2-ylsilane.

Molecular Properties

Compound Name(4-fluoro-2,3-dimethylbutan-2-yl)-dimethoxy-propan-2-ylsilane
PubChem CID172849839
Molecular FormulaC11H25FO2Si
Molecular Weight236.40 g/mol
Exact Mass236.16
IUPAC Name(4-fluoro-2,3-dimethylbutan-2-yl)-dimethoxy-propan-2-ylsilane
SMILESCO[Si](OC)(C(C)C)C(C)(C)C(C)CF
InChIInChI=1S/C11H25FO2Si/c1-9(2)15(13-6,14-7)11(4,5)10(3)8-12/h9-10H,8H2,1-7H3
InChIKeyXXNXIBOLCOGPME-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.52
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 (4-fluoro-2,3-dimethylbutan-2-yl)-dimethoxy-propan-2-ylsilane?
The IUPAC name of (4-fluoro-2,3-dimethylbutan-2-yl)-dimethoxy-propan-2-ylsilane (CID 172849839) is (4-fluoro-2,3-dimethylbutan-2-yl)-dimethoxy-propan-2-ylsilane.
What is the SMILES notation for (4-fluoro-2,3-dimethylbutan-2-yl)-dimethoxy-propan-2-ylsilane?
The canonical SMILES for (4-fluoro-2,3-dimethylbutan-2-yl)-dimethoxy-propan-2-ylsilane is CO[Si](OC)(C(C)C)C(C)(C)C(C)CF.
What is the InChIKey of (4-fluoro-2,3-dimethylbutan-2-yl)-dimethoxy-propan-2-ylsilane?
The InChIKey is XXNXIBOLCOGPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25FO2Si/c1-9(2)15(13-6,14-7)11(4,5)10(3)8-12/h9-10H,8H2,1-7H3.
What are the key properties of (4-fluoro-2,3-dimethylbutan-2-yl)-dimethoxy-propan-2-ylsilane?
(4-fluoro-2,3-dimethylbutan-2-yl)-dimethoxy-propan-2-ylsilane has a molecular weight of 236.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2,3-dimethylbutan-2-yl)-dimethoxy-propan-2-ylsilane is sourced from PubChem (CID 172849839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).