ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane

C13H19F3O3Si — CID 90171970

IUPACethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
SMILESCCO[Si](CCc1cccc(C(F)(F)F)c1)(OC)OC
InChIInChI=1S/C13H19F3O3Si/c1-4-19-20(17-2,18-3)9-8-11-6-5-7-12(10-11)13(14,15)16/h5-7,10H,4,8-9H2,1-3H3
InChIKeyXRSSRXRQSQYQGV-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.52
Rot. Bonds7

About ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane

ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane (PubChem CID 90171970) has the molecular formula C13H19F3O3Si and a molecular weight of 308.37 g/mol. Its IUPAC name is ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane.

Molecular Properties

Compound Nameethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
PubChem CID90171970
Molecular FormulaC13H19F3O3Si
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Nameethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
SMILESCCO[Si](CCc1cccc(C(F)(F)F)c1)(OC)OC
InChIInChI=1S/C13H19F3O3Si/c1-4-19-20(17-2,18-3)9-8-11-6-5-7-12(10-11)13(14,15)16/h5-7,10H,4,8-9H2,1-3H3
InChIKeyXRSSRXRQSQYQGV-UHFFFAOYSA-N
XLogP3.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90174085
trimethoxy-[2-[3-(2-trimethoxysilylethyl)phenyl]ethyl]silane
CID 56847492
methoxy-dimethyl-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90172470
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777
4-[3,5-bis(trifluoromethyl)phenyl]butyl-diethoxy-methoxysilane
CID 90171444
dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90173460
tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 90174032
CID 157055596
CID 157055596
ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90173483
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
[3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane
CID 90170465
dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethoxy]silane
CID 152769137

Frequently Asked Questions

What is the IUPAC name of ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane?
The IUPAC name of ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane (CID 90171970) is ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane.
What is the SMILES notation for ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane?
The canonical SMILES for ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane is CCO[Si](CCc1cccc(C(F)(F)F)c1)(OC)OC.
What is the InChIKey of ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane?
The InChIKey is XRSSRXRQSQYQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3O3Si/c1-4-19-20(17-2,18-3)9-8-11-6-5-7-12(10-11)13(14,15)16/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane?
ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane has a molecular weight of 308.37 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane is sourced from PubChem (CID 90171970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).