2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol

C20H27FO3Si — CID 138971112

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol
SMILESCC(C)(C)[Si](OCC(F)(CO)CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27FO3Si/c1-19(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-20(21,14-22)15-23/h4-13,22-23H,14-16H2,1-3H3
InChIKeyPMTYHOIIIYMQSS-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.26
Rot. Bonds7

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol

2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol (PubChem CID 138971112) has the molecular formula C20H27FO3Si and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol
PubChem CID138971112
Molecular FormulaC20H27FO3Si
Molecular Weight362.52 g/mol
Exact Mass362.17
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol
SMILESCC(C)(C)[Si](OCC(F)(CO)CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27FO3Si/c1-19(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-20(21,14-22)15-23/h4-13,22-23H,14-16H2,1-3H3
InChIKeyPMTYHOIIIYMQSS-UHFFFAOYSA-N
XLogP2.26
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol (CID 138971112) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol is CC(C)(C)[Si](OCC(F)(CO)CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol?
The InChIKey is PMTYHOIIIYMQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FO3Si/c1-19(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-20(21,14-22)15-23/h4-13,22-23H,14-16H2,1-3H3.
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol has a molecular weight of 362.52 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol is sourced from PubChem (CID 138971112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).