2-[2-fluoroethyl-[2-(2-fluoroethyl-hydroxy-methylsilyl)propan-2-yloxy]-methylsilyl]propan-2-ol

C12H28F2O3Si2 — CID 90377124

IUPAC2-[2-fluoroethyl-[2-(2-fluoroethyl-hydroxy-methylsilyl)propan-2-yloxy]-methylsilyl]propan-2-ol
SMILESCC(C)(O[Si](C)(CCF)C(C)(C)O)[Si](C)(O)CCF
InChIInChI=1S/C12H28F2O3Si2/c1-11(2,15)19(6,10-8-14)17-12(3,4)18(5,16)9-7-13/h15-16H,7-10H2,1-6H3
InChIKeyQIPXJUFDPLGDFB-UHFFFAOYSA-N
MW314.52 g/mol
LogP2.71
Rot. Bonds8

About 2-[2-fluoroethyl-[2-(2-fluoroethyl-hydroxy-methylsilyl)propan-2-yloxy]-methylsilyl]propan-2-ol

2-[2-fluoroethyl-[2-(2-fluoroethyl-hydroxy-methylsilyl)propan-2-yloxy]-methylsilyl]propan-2-ol (PubChem CID 90377124) has the molecular formula C12H28F2O3Si2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 2-[2-fluoroethyl-[2-(2-fluoroethyl-hydroxy-methylsilyl)propan-2-yloxy]-methylsilyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-fluoroethyl-[2-(2-fluoroethyl-hydroxy-methylsilyl)propan-2-yloxy]-methylsilyl]propan-2-ol
PubChem CID90377124
Molecular FormulaC12H28F2O3Si2
Molecular Weight314.52 g/mol
Exact Mass314.15
IUPAC Name2-[2-fluoroethyl-[2-(2-fluoroethyl-hydroxy-methylsilyl)propan-2-yloxy]-methylsilyl]propan-2-ol
SMILESCC(C)(O[Si](C)(CCF)C(C)(C)O)[Si](C)(O)CCF
InChIInChI=1S/C12H28F2O3Si2/c1-11(2,15)19(6,10-8-14)17-12(3,4)18(5,16)9-7-13/h15-16H,7-10H2,1-6H3
InChIKeyQIPXJUFDPLGDFB-UHFFFAOYSA-N
XLogP2.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 52.71
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-[2-fluoroethyl-[2-(2-fluoroethyl-hydroxy-methylsilyl)propan-2-yloxy]-methylsilyl]propan-2-ol?
The IUPAC name of 2-[2-fluoroethyl-[2-(2-fluoroethyl-hydroxy-methylsilyl)propan-2-yloxy]-methylsilyl]propan-2-ol (CID 90377124) is 2-[2-fluoroethyl-[2-(2-fluoroethyl-hydroxy-methylsilyl)propan-2-yloxy]-methylsilyl]propan-2-ol.
What is the SMILES notation for 2-[2-fluoroethyl-[2-(2-fluoroethyl-hydroxy-methylsilyl)propan-2-yloxy]-methylsilyl]propan-2-ol?
The canonical SMILES for 2-[2-fluoroethyl-[2-(2-fluoroethyl-hydroxy-methylsilyl)propan-2-yloxy]-methylsilyl]propan-2-ol is CC(C)(O[Si](C)(CCF)C(C)(C)O)[Si](C)(O)CCF.
What is the InChIKey of 2-[2-fluoroethyl-[2-(2-fluoroethyl-hydroxy-methylsilyl)propan-2-yloxy]-methylsilyl]propan-2-ol?
The InChIKey is QIPXJUFDPLGDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28F2O3Si2/c1-11(2,15)19(6,10-8-14)17-12(3,4)18(5,16)9-7-13/h15-16H,7-10H2,1-6H3.
What are the key properties of 2-[2-fluoroethyl-[2-(2-fluoroethyl-hydroxy-methylsilyl)propan-2-yloxy]-methylsilyl]propan-2-ol?
2-[2-fluoroethyl-[2-(2-fluoroethyl-hydroxy-methylsilyl)propan-2-yloxy]-methylsilyl]propan-2-ol has a molecular weight of 314.52 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoroethyl-[2-(2-fluoroethyl-hydroxy-methylsilyl)propan-2-yloxy]-methylsilyl]propan-2-ol is sourced from PubChem (CID 90377124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).