dibromo-ethoxy-(2,2,2-trifluoroethyl)silane

C4H7Br2F3OSi — CID 87213775

IUPACdibromo-ethoxy-(2,2,2-trifluoroethyl)silane
SMILESCCO[Si](Br)(Br)CC(F)(F)F
InChIInChI=1S/C4H7Br2F3OSi/c1-2-10-11(5,6)3-4(7,8)9/h2-3H2,1H3
InChIKeyJXXOGEPAMXVDTQ-UHFFFAOYSA-N
MW315.99 g/mol
LogP3.31
Rot. Bonds3

About dibromo-ethoxy-(2,2,2-trifluoroethyl)silane

dibromo-ethoxy-(2,2,2-trifluoroethyl)silane (PubChem CID 87213775) has the molecular formula C4H7Br2F3OSi and a molecular weight of 315.99 g/mol. Its IUPAC name is dibromo-ethoxy-(2,2,2-trifluoroethyl)silane.

Molecular Properties

Compound Namedibromo-ethoxy-(2,2,2-trifluoroethyl)silane
PubChem CID87213775
Molecular FormulaC4H7Br2F3OSi
Molecular Weight315.99 g/mol
Exact Mass313.86
IUPAC Namedibromo-ethoxy-(2,2,2-trifluoroethyl)silane
SMILESCCO[Si](Br)(Br)CC(F)(F)F
InChIInChI=1S/C4H7Br2F3OSi/c1-2-10-11(5,6)3-4(7,8)9/h2-3H2,1H3
InChIKeyJXXOGEPAMXVDTQ-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.99
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dibromo-ethoxy-(2,2,2-trifluoroethyl)silane 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

bromo-dimethoxy-(2,2,2-trifluoroethyl)silane
CID 87214032
triethoxy(4,4,4-trifluorobutyl)silane
CID 22459507
dibromo-butyl-ethoxysilane
CID 140745096
ethoxy-tris(3,3,3-trifluoropropyl)silane
CID 3014011
triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane
CID 23523578
ethyl-dimethyl-(2,2,2-trifluoroethyl)silane
CID 151601373
(3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane
CID 87839555
cyclopentyl-diethoxy-(3,3,3-trifluoropropyl)silane
CID 22377678
triethoxy(6,6,6-trifluorohexyl)silane
CID 140708883
2,2-dimethylpropyl-[2,2-dimethylpropyl(diethoxy)silyl]-diethoxysilane
CID 87552824
ethyl-tris(2,2,2-trifluoroethoxy)silane
CID 139652864
triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane
CID 175108663

Frequently Asked Questions

What is the IUPAC name of dibromo-ethoxy-(2,2,2-trifluoroethyl)silane?
The IUPAC name of dibromo-ethoxy-(2,2,2-trifluoroethyl)silane (CID 87213775) is dibromo-ethoxy-(2,2,2-trifluoroethyl)silane.
What is the SMILES notation for dibromo-ethoxy-(2,2,2-trifluoroethyl)silane?
The canonical SMILES for dibromo-ethoxy-(2,2,2-trifluoroethyl)silane is CCO[Si](Br)(Br)CC(F)(F)F.
What is the InChIKey of dibromo-ethoxy-(2,2,2-trifluoroethyl)silane?
The InChIKey is JXXOGEPAMXVDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Br2F3OSi/c1-2-10-11(5,6)3-4(7,8)9/h2-3H2,1H3.
What are the key properties of dibromo-ethoxy-(2,2,2-trifluoroethyl)silane?
dibromo-ethoxy-(2,2,2-trifluoroethyl)silane has a molecular weight of 315.99 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo-ethoxy-(2,2,2-trifluoroethyl)silane is sourced from PubChem (CID 87213775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).