3-[ditert-butyl(fluoro)silyl]propan-1-ol

C11H25FOSi — CID 72704089

IUPAC3-[ditert-butyl(fluoro)silyl]propan-1-ol
SMILESCC(C)(C)[Si](F)(CCCO)C(C)(C)C
InChIInChI=1S/C11H25FOSi/c1-10(2,3)14(12,9-7-8-13)11(4,5)6/h13H,7-9H2,1-6H3
InChIKeyJVGYXDDBAMJUQX-UHFFFAOYSA-N
MW220.40 g/mol
LogP3.88
Rot. Bonds3

About 3-[ditert-butyl(fluoro)silyl]propan-1-ol

3-[ditert-butyl(fluoro)silyl]propan-1-ol (PubChem CID 72704089) has the molecular formula C11H25FOSi and a molecular weight of 220.40 g/mol. Its IUPAC name is 3-[ditert-butyl(fluoro)silyl]propan-1-ol.

Molecular Properties

Compound Name3-[ditert-butyl(fluoro)silyl]propan-1-ol
PubChem CID72704089
Molecular FormulaC11H25FOSi
Molecular Weight220.40 g/mol
Exact Mass220.17
IUPAC Name3-[ditert-butyl(fluoro)silyl]propan-1-ol
SMILESCC(C)(C)[Si](F)(CCCO)C(C)(C)C
InChIInChI=1S/C11H25FOSi/c1-10(2,3)14(12,9-7-8-13)11(4,5)6/h13H,7-9H2,1-6H3
InChIKeyJVGYXDDBAMJUQX-UHFFFAOYSA-N
XLogP3.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[ditert-butyl(fluoro)silyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[ditert-butyl(fluoro)silyl]propan-1-ol?
The IUPAC name of 3-[ditert-butyl(fluoro)silyl]propan-1-ol (CID 72704089) is 3-[ditert-butyl(fluoro)silyl]propan-1-ol.
What is the SMILES notation for 3-[ditert-butyl(fluoro)silyl]propan-1-ol?
The canonical SMILES for 3-[ditert-butyl(fluoro)silyl]propan-1-ol is CC(C)(C)[Si](F)(CCCO)C(C)(C)C.
What is the InChIKey of 3-[ditert-butyl(fluoro)silyl]propan-1-ol?
The InChIKey is JVGYXDDBAMJUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25FOSi/c1-10(2,3)14(12,9-7-8-13)11(4,5)6/h13H,7-9H2,1-6H3.
What are the key properties of 3-[ditert-butyl(fluoro)silyl]propan-1-ol?
3-[ditert-butyl(fluoro)silyl]propan-1-ol has a molecular weight of 220.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ditert-butyl(fluoro)silyl]propan-1-ol is sourced from PubChem (CID 72704089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).