2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane

C15H20F6OSi — CID 90172147

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane
SMILESCC[Si](CC)(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)OC
InChIInChI=1S/C15H20F6OSi/c1-4-23(5-2,22-3)7-6-11-8-12(14(16,17)18)10-13(9-11)15(19,20)21/h8-10H,4-7H2,1-3H3
InChIKeyFJJQZCMVRBCNQF-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.90
Rot. Bonds6

About 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane

2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane (PubChem CID 90172147) has the molecular formula C15H20F6OSi and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane
PubChem CID90172147
Molecular FormulaC15H20F6OSi
Molecular Weight358.40 g/mol
Exact Mass358.12
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane
SMILESCC[Si](CC)(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)OC
InChIInChI=1S/C15H20F6OSi/c1-4-23(5-2,22-3)7-6-11-8-12(14(16,17)18)10-13(9-11)15(19,20)21/h8-10H,4-7H2,1-3H3
InChIKeyFJJQZCMVRBCNQF-UHFFFAOYSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane
CID 90172351
2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane
CID 90171216
5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane
CID 90175393
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777
4-[3,5-bis(trifluoromethyl)phenyl]butyl-diethoxy-methoxysilane
CID 90171444
1,3-dipropyl-5-(trifluoromethyl)benzene
CID 58332275
diethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane
CID 90171015
6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane
CID 90174980
dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90174085
ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90171970
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
1-ethyl-3-propyl-5-(trifluoromethyl)benzene
CID 134502293

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane (CID 90172147) is 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane is CC[Si](CC)(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)OC.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane?
The InChIKey is FJJQZCMVRBCNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F6OSi/c1-4-23(5-2,22-3)7-6-11-8-12(14(16,17)18)10-13(9-11)15(19,20)21/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane?
2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane has a molecular weight of 358.40 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane is sourced from PubChem (CID 90172147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).