2,2,3,3,3-pentafluoro-1-(4-fluorophenyl)-1-trimethylsilylpropan-1-ol

C12H14F6OSi — CID 15685383

IUPAC2,2,3,3,3-pentafluoro-1-(4-fluorophenyl)-1-trimethylsilylpropan-1-ol
SMILESC[Si](C)(C)C(O)(c1ccc(F)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H14F6OSi/c1-20(2,3)10(19,11(14,15)12(16,17)18)8-4-6-9(13)7-5-8/h4-7,19H,1-3H3
InChIKeyMIOSZLMJAVFGHI-UHFFFAOYSA-N
MW316.32 g/mol
LogP4.09
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-1-(4-fluorophenyl)-1-trimethylsilylpropan-1-ol

2,2,3,3,3-pentafluoro-1-(4-fluorophenyl)-1-trimethylsilylpropan-1-ol (PubChem CID 15685383) has the molecular formula C12H14F6OSi and a molecular weight of 316.32 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(4-fluorophenyl)-1-trimethylsilylpropan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(4-fluorophenyl)-1-trimethylsilylpropan-1-ol
PubChem CID15685383
Molecular FormulaC12H14F6OSi
Molecular Weight316.32 g/mol
Exact Mass316.07
IUPAC Name2,2,3,3,3-pentafluoro-1-(4-fluorophenyl)-1-trimethylsilylpropan-1-ol
SMILESC[Si](C)(C)C(O)(c1ccc(F)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H14F6OSi/c1-20(2,3)10(19,11(14,15)12(16,17)18)8-4-6-9(13)7-5-8/h4-7,19H,1-3H3
InChIKeyMIOSZLMJAVFGHI-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(4-fluorophenyl)-1-trimethylsilylpropan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(4-fluorophenyl)-1-trimethylsilylpropan-1-ol (CID 15685383) is 2,2,3,3,3-pentafluoro-1-(4-fluorophenyl)-1-trimethylsilylpropan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(4-fluorophenyl)-1-trimethylsilylpropan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(4-fluorophenyl)-1-trimethylsilylpropan-1-ol is C[Si](C)(C)C(O)(c1ccc(F)cc1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(4-fluorophenyl)-1-trimethylsilylpropan-1-ol?
The InChIKey is MIOSZLMJAVFGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6OSi/c1-20(2,3)10(19,11(14,15)12(16,17)18)8-4-6-9(13)7-5-8/h4-7,19H,1-3H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(4-fluorophenyl)-1-trimethylsilylpropan-1-ol?
2,2,3,3,3-pentafluoro-1-(4-fluorophenyl)-1-trimethylsilylpropan-1-ol has a molecular weight of 316.32 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(4-fluorophenyl)-1-trimethylsilylpropan-1-ol is sourced from PubChem (CID 15685383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).