diethoxy-phenyl-(3,3,3-trifluoropropyl)silane

C13H19F3O2Si — CID 23498268

IUPACdiethoxy-phenyl-(3,3,3-trifluoropropyl)silane
SMILESCCO[Si](CCC(F)(F)F)(OCC)c1ccccc1
InChIInChI=1S/C13H19F3O2Si/c1-3-17-19(18-4-2,11-10-13(14,15)16)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyWCMGZVOQDOAFED-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.36
Rot. Bonds7

About diethoxy-phenyl-(3,3,3-trifluoropropyl)silane

diethoxy-phenyl-(3,3,3-trifluoropropyl)silane (PubChem CID 23498268) has the molecular formula C13H19F3O2Si and a molecular weight of 292.37 g/mol. Its IUPAC name is diethoxy-phenyl-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namediethoxy-phenyl-(3,3,3-trifluoropropyl)silane
PubChem CID23498268
Molecular FormulaC13H19F3O2Si
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Namediethoxy-phenyl-(3,3,3-trifluoropropyl)silane
SMILESCCO[Si](CCC(F)(F)F)(OCC)c1ccccc1
InChIInChI=1S/C13H19F3O2Si/c1-3-17-19(18-4-2,11-10-13(14,15)16)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyWCMGZVOQDOAFED-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 18137
CID 18137
CID 18193
CID 18193
CID 13075
CID 13075
CID 15770
CID 15770
CID 75705
CID 75705
CID 69891
CID 69891
CID 74576
CID 74576
CID 87366
CID 87366
CID 87359
CID 87359
CID 140300
CID 140300
CID 104146
CID 104146
CID 6335366
CID 6335366

Frequently Asked Questions

What is the IUPAC name of diethoxy-phenyl-(3,3,3-trifluoropropyl)silane?
The IUPAC name of diethoxy-phenyl-(3,3,3-trifluoropropyl)silane (CID 23498268) is diethoxy-phenyl-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for diethoxy-phenyl-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for diethoxy-phenyl-(3,3,3-trifluoropropyl)silane is CCO[Si](CCC(F)(F)F)(OCC)c1ccccc1.
What is the InChIKey of diethoxy-phenyl-(3,3,3-trifluoropropyl)silane?
The InChIKey is WCMGZVOQDOAFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3O2Si/c1-3-17-19(18-4-2,11-10-13(14,15)16)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of diethoxy-phenyl-(3,3,3-trifluoropropyl)silane?
diethoxy-phenyl-(3,3,3-trifluoropropyl)silane has a molecular weight of 292.37 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-phenyl-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 23498268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).