diethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane

C13H19F3OSi — CID 90171015

IUPACdiethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane
SMILESCC[Si](CC)(Cc1ccc(C(F)(F)F)cc1)OC
InChIInChI=1S/C13H19F3OSi/c1-4-18(5-2,17-3)10-11-6-8-12(9-7-11)13(14,15)16/h6-9H,4-5,10H2,1-3H3
InChIKeyUUSYFHLPYGJEBK-UHFFFAOYSA-N
MW276.37 g/mol
LogP4.42
Rot. Bonds5

About diethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane

diethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane (PubChem CID 90171015) has the molecular formula C13H19F3OSi and a molecular weight of 276.37 g/mol. Its IUPAC name is diethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane.

Molecular Properties

Compound Namediethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane
PubChem CID90171015
Molecular FormulaC13H19F3OSi
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Namediethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane
SMILESCC[Si](CC)(Cc1ccc(C(F)(F)F)cc1)OC
InChIInChI=1S/C13H19F3OSi/c1-4-18(5-2,17-3)10-11-6-8-12(9-7-11)13(14,15)16/h6-9H,4-5,10H2,1-3H3
InChIKeyUUSYFHLPYGJEBK-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane
CID 90172147
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine
CID 23499567
1-ethyl-4-(trifluoromethyl)benzene;hexane
CID 143348513
methoxy-di(propan-2-yloxy)-[2-[4-(trifluoromethyl)phenyl]ethyl]silane
CID 90173870
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
1-[4-(trifluoromethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine
CID 100995079
trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172461
3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 116752705
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198

Frequently Asked Questions

What is the IUPAC name of diethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane?
The IUPAC name of diethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane (CID 90171015) is diethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane.
What is the SMILES notation for diethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane?
The canonical SMILES for diethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane is CC[Si](CC)(Cc1ccc(C(F)(F)F)cc1)OC.
What is the InChIKey of diethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane?
The InChIKey is UUSYFHLPYGJEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3OSi/c1-4-18(5-2,17-3)10-11-6-8-12(9-7-11)13(14,15)16/h6-9H,4-5,10H2,1-3H3.
What are the key properties of diethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane?
diethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane has a molecular weight of 276.37 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane is sourced from PubChem (CID 90171015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).