2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C17H14F6OSi — CID 122180197

IUPAC2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC[Si]1(C)c2ccccc2-c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21
InChIInChI=1S/C17H14F6OSi/c1-25(2)13-6-4-3-5-11(13)12-9-10(7-8-14(12)25)15(24,16(18,19)20)17(21,22)23/h3-9,24H,1-2H3
InChIKeyCVUBXWXNPCMXIH-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.80
Rot. Bonds1

About 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 122180197) has the molecular formula C17H14F6OSi and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID122180197
Molecular FormulaC17H14F6OSi
Molecular Weight376.37 g/mol
Exact Mass376.07
IUPAC Name2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC[Si]1(C)c2ccccc2-c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21
InChIInChI=1S/C17H14F6OSi/c1-25(2)13-6-4-3-5-11(13)12-9-10(7-8-14(12)25)15(24,16(18,19)20)17(21,22)23/h3-9,24H,1-2H3
InChIKeyCVUBXWXNPCMXIH-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

alpha-Ethyl-alpha-phenyl-3-(trifluoromethyl)benzenemethanol
CID 41870
3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole]
CID 338472
2-[4-[Diethyl(methyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168271253
1,1,1,3,3,3-Hexafluoro-2-(4-triethylsilylphenyl)propan-2-ol
CID 168272454
2-[4-[Cyclohexyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168278822
2-[4-[Benzyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168281096
2-[4-[Dimethyl(prop-2-enyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168282113
2-[4-[Tert-butyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168282164
2-[4-[Dimethyl(trimethylsilyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168282776
2-[4-[Dimethyl(phenyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168285849
1,1,1,3,3,3-Hexafluoro-2-(4-tripropylsilylphenyl)propan-2-ol
CID 168293391
2-(5,5-Dibutylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 122180196

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 122180197) is 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is C[Si]1(C)c2ccccc2-c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21.
What is the InChIKey of 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is CVUBXWXNPCMXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6OSi/c1-25(2)13-6-4-3-5-11(13)12-9-10(7-8-14(12)25)15(24,16(18,19)20)17(21,22)23/h3-9,24H,1-2H3.
What are the key properties of 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 376.37 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 122180197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).