hydroxy-(1,1,1,2,3-pentafluoropropan-2-yloxy)-phenyl-propan-2-yloxysilane

C12H15F5O3Si — CID 90171305

IUPAChydroxy-(1,1,1,2,3-pentafluoropropan-2-yloxy)-phenyl-propan-2-yloxysilane
SMILESCC(C)O[Si](O)(OC(F)(CF)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H15F5O3Si/c1-9(2)19-21(18,10-6-4-3-5-7-10)20-11(14,8-13)12(15,16)17/h3-7,9,18H,8H2,1-2H3
InChIKeyMXLBLHDGVUXHAT-UHFFFAOYSA-N
MW330.33 g/mol
LogP2.46
Rot. Bonds6

About hydroxy-(1,1,1,2,3-pentafluoropropan-2-yloxy)-phenyl-propan-2-yloxysilane

hydroxy-(1,1,1,2,3-pentafluoropropan-2-yloxy)-phenyl-propan-2-yloxysilane (PubChem CID 90171305) has the molecular formula C12H15F5O3Si and a molecular weight of 330.33 g/mol. Its IUPAC name is hydroxy-(1,1,1,2,3-pentafluoropropan-2-yloxy)-phenyl-propan-2-yloxysilane.

Molecular Properties

Compound Namehydroxy-(1,1,1,2,3-pentafluoropropan-2-yloxy)-phenyl-propan-2-yloxysilane
PubChem CID90171305
Molecular FormulaC12H15F5O3Si
Molecular Weight330.33 g/mol
Exact Mass330.07
IUPAC Namehydroxy-(1,1,1,2,3-pentafluoropropan-2-yloxy)-phenyl-propan-2-yloxysilane
SMILESCC(C)O[Si](O)(OC(F)(CF)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H15F5O3Si/c1-9(2)19-21(18,10-6-4-3-5-7-10)20-11(14,8-13)12(15,16)17/h3-7,9,18H,8H2,1-2H3
InChIKeyMXLBLHDGVUXHAT-UHFFFAOYSA-N
XLogP2.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
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 hydroxy-(1,1,1,2,3-pentafluoropropan-2-yloxy)-phenyl-propan-2-yloxysilane?
The IUPAC name of hydroxy-(1,1,1,2,3-pentafluoropropan-2-yloxy)-phenyl-propan-2-yloxysilane (CID 90171305) is hydroxy-(1,1,1,2,3-pentafluoropropan-2-yloxy)-phenyl-propan-2-yloxysilane.
What is the SMILES notation for hydroxy-(1,1,1,2,3-pentafluoropropan-2-yloxy)-phenyl-propan-2-yloxysilane?
The canonical SMILES for hydroxy-(1,1,1,2,3-pentafluoropropan-2-yloxy)-phenyl-propan-2-yloxysilane is CC(C)O[Si](O)(OC(F)(CF)C(F)(F)F)c1ccccc1.
What is the InChIKey of hydroxy-(1,1,1,2,3-pentafluoropropan-2-yloxy)-phenyl-propan-2-yloxysilane?
The InChIKey is MXLBLHDGVUXHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5O3Si/c1-9(2)19-21(18,10-6-4-3-5-7-10)20-11(14,8-13)12(15,16)17/h3-7,9,18H,8H2,1-2H3.
What are the key properties of hydroxy-(1,1,1,2,3-pentafluoropropan-2-yloxy)-phenyl-propan-2-yloxysilane?
hydroxy-(1,1,1,2,3-pentafluoropropan-2-yloxy)-phenyl-propan-2-yloxysilane has a molecular weight of 330.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(1,1,1,2,3-pentafluoropropan-2-yloxy)-phenyl-propan-2-yloxysilane is sourced from PubChem (CID 90171305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).