1,1,1,2,3-pentafluoropropan-2-yloxy-phenyl-di(propan-2-yloxy)silane

C15H21F5O3Si — CID 87975325

IUPAC1,1,1,2,3-pentafluoropropan-2-yloxy-phenyl-di(propan-2-yloxy)silane
SMILESCC(C)O[Si](OC(C)C)(OC(F)(CF)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H21F5O3Si/c1-11(2)21-24(22-12(3)4,13-8-6-5-7-9-13)23-14(17,10-16)15(18,19)20/h5-9,11-12H,10H2,1-4H3
InChIKeyDSSFDFRCEVFKEM-UHFFFAOYSA-N
MW372.41 g/mol
LogP3.90
Rot. Bonds8

About 1,1,1,2,3-pentafluoropropan-2-yloxy-phenyl-di(propan-2-yloxy)silane

1,1,1,2,3-pentafluoropropan-2-yloxy-phenyl-di(propan-2-yloxy)silane (PubChem CID 87975325) has the molecular formula C15H21F5O3Si and a molecular weight of 372.41 g/mol. Its IUPAC name is 1,1,1,2,3-pentafluoropropan-2-yloxy-phenyl-di(propan-2-yloxy)silane.

Molecular Properties

Compound Name1,1,1,2,3-pentafluoropropan-2-yloxy-phenyl-di(propan-2-yloxy)silane
PubChem CID87975325
Molecular FormulaC15H21F5O3Si
Molecular Weight372.41 g/mol
Exact Mass372.12
IUPAC Name1,1,1,2,3-pentafluoropropan-2-yloxy-phenyl-di(propan-2-yloxy)silane
SMILESCC(C)O[Si](OC(C)C)(OC(F)(CF)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H21F5O3Si/c1-11(2)21-24(22-12(3)4,13-8-6-5-7-9-13)23-14(17,10-16)15(18,19)20/h5-9,11-12H,10H2,1-4H3
InChIKeyDSSFDFRCEVFKEM-UHFFFAOYSA-N
XLogP3.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
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 1,1,1,2,3-pentafluoropropan-2-yloxy-phenyl-di(propan-2-yloxy)silane?
The IUPAC name of 1,1,1,2,3-pentafluoropropan-2-yloxy-phenyl-di(propan-2-yloxy)silane (CID 87975325) is 1,1,1,2,3-pentafluoropropan-2-yloxy-phenyl-di(propan-2-yloxy)silane.
What is the SMILES notation for 1,1,1,2,3-pentafluoropropan-2-yloxy-phenyl-di(propan-2-yloxy)silane?
The canonical SMILES for 1,1,1,2,3-pentafluoropropan-2-yloxy-phenyl-di(propan-2-yloxy)silane is CC(C)O[Si](OC(C)C)(OC(F)(CF)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1,1,1,2,3-pentafluoropropan-2-yloxy-phenyl-di(propan-2-yloxy)silane?
The InChIKey is DSSFDFRCEVFKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F5O3Si/c1-11(2)21-24(22-12(3)4,13-8-6-5-7-9-13)23-14(17,10-16)15(18,19)20/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 1,1,1,2,3-pentafluoropropan-2-yloxy-phenyl-di(propan-2-yloxy)silane?
1,1,1,2,3-pentafluoropropan-2-yloxy-phenyl-di(propan-2-yloxy)silane has a molecular weight of 372.41 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3-pentafluoropropan-2-yloxy-phenyl-di(propan-2-yloxy)silane is sourced from PubChem (CID 87975325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).