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

C19H28F6O3Si — CID 90171216

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane
SMILESCCCO[Si](CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)(OCCC)OCCC
InChIInChI=1S/C19H28F6O3Si/c1-4-8-26-29(27-9-5-2,28-10-6-3)11-7-15-12-16(18(20,21)22)14-17(13-15)19(23,24)25/h12-14H,4-11H2,1-3H3
InChIKeyQAKSZDGPCCHCLV-UHFFFAOYSA-N
MW446.50 g/mol
LogP6.49
Rot. Bonds12

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

2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane (PubChem CID 90171216) has the molecular formula C19H28F6O3Si and a molecular weight of 446.50 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane
PubChem CID90171216
Molecular FormulaC19H28F6O3Si
Molecular Weight446.50 g/mol
Exact Mass446.17
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane
SMILESCCCO[Si](CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)(OCCC)OCCC
InChIInChI=1S/C19H28F6O3Si/c1-4-8-26-29(27-9-5-2,28-10-6-3)11-7-15-12-16(18(20,21)22)14-17(13-15)19(23,24)25/h12-14H,4-11H2,1-3H3
InChIKeyQAKSZDGPCCHCLV-UHFFFAOYSA-N
XLogP6.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 56.49
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

tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 90174032
2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane
CID 90172147
1,3-dipropyl-5-(trifluoromethyl)benzene
CID 58332275
4-[3,5-bis(trifluoromethyl)phenyl]butyl-diethoxy-methoxysilane
CID 90171444
[3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane
CID 90170465
6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane
CID 90174980
3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane
CID 90172351
1-ethyl-3-propyl-5-(trifluoromethyl)benzene
CID 134502293
1-propoxy-3,5-bis(trifluoromethyl)benzene
CID 23395147
ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90171970
2-[3-propyl-5-(trifluoromethyl)phenyl]propan-2-ol
CID 162614763
5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane
CID 90175393

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane (CID 90171216) is 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane is CCCO[Si](CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)(OCCC)OCCC.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane?
The InChIKey is QAKSZDGPCCHCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F6O3Si/c1-4-8-26-29(27-9-5-2,28-10-6-3)11-7-15-12-16(18(20,21)22)14-17(13-15)19(23,24)25/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane?
2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane has a molecular weight of 446.50 g/mol, XLogP of 6.49, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane is sourced from PubChem (CID 90171216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).