[2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol

C12H14F2OSi — CID 151363788

IUPAC[2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol
SMILESC[Si](C)(C)C#Cc1cc(F)c(CO)c(F)c1
InChIInChI=1S/C12H14F2OSi/c1-16(2,3)5-4-9-6-11(13)10(8-15)12(14)7-9/h6-7,15H,8H2,1-3H3
InChIKeyOOZYFBOCRRAKHP-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.69
Rot. Bonds1

About [2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol

[2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol (PubChem CID 151363788) has the molecular formula C12H14F2OSi and a molecular weight of 240.32 g/mol. Its IUPAC name is [2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol.

Molecular Properties

Compound Name[2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol
PubChem CID151363788
Molecular FormulaC12H14F2OSi
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name[2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol
SMILESC[Si](C)(C)C#Cc1cc(F)c(CO)c(F)c1
InChIInChI=1S/C12H14F2OSi/c1-16(2,3)5-4-9-6-11(13)10(8-15)12(14)7-9/h6-7,15H,8H2,1-3H3
InChIKeyOOZYFBOCRRAKHP-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol?
The IUPAC name of [2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol (CID 151363788) is [2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol.
What is the SMILES notation for [2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol?
The canonical SMILES for [2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol is C[Si](C)(C)C#Cc1cc(F)c(CO)c(F)c1.
What is the InChIKey of [2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol?
The InChIKey is OOZYFBOCRRAKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2OSi/c1-16(2,3)5-4-9-6-11(13)10(8-15)12(14)7-9/h6-7,15H,8H2,1-3H3.
What are the key properties of [2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol?
[2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol has a molecular weight of 240.32 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol is sourced from PubChem (CID 151363788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).