4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-ol

C10H22F2O2Si — CID 157193869

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-ol
SMILESCC(O)C(F)(F)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22F2O2Si/c1-8(13)10(11,12)7-14-15(5,6)9(2,3)4/h8,13H,7H2,1-6H3
InChIKeyWQFVUFGYZDXSDD-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.02
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-ol

4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-ol (PubChem CID 157193869) has the molecular formula C10H22F2O2Si and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-ol
PubChem CID157193869
Molecular FormulaC10H22F2O2Si
Molecular Weight240.37 g/mol
Exact Mass240.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-ol
SMILESCC(O)C(F)(F)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22F2O2Si/c1-8(13)10(11,12)7-14-15(5,6)9(2,3)4/h8,13H,7H2,1-6H3
InChIKeyWQFVUFGYZDXSDD-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-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 4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-ol (CID 157193869) is 4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-ol is CC(O)C(F)(F)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-ol?
The InChIKey is WQFVUFGYZDXSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22F2O2Si/c1-8(13)10(11,12)7-14-15(5,6)9(2,3)4/h8,13H,7H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-ol?
4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-ol has a molecular weight of 240.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-ol is sourced from PubChem (CID 157193869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).