1,1,2-trimethoxy-2-(3,3,3-trifluoropropyl)silinane

C11H21F3O3Si — CID 174815092

IUPAC1,1,2-trimethoxy-2-(3,3,3-trifluoropropyl)silinane
SMILESCOC1(CCC(F)(F)F)CCCC[Si]1(OC)OC
InChIInChI=1S/C11H21F3O3Si/c1-15-10(7-8-11(12,13)14)6-4-5-9-18(10,16-2)17-3/h4-9H2,1-3H3
InChIKeyWRLRSYAWQCXHTI-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.17
Rot. Bonds5

About 1,1,2-trimethoxy-2-(3,3,3-trifluoropropyl)silinane

1,1,2-trimethoxy-2-(3,3,3-trifluoropropyl)silinane (PubChem CID 174815092) has the molecular formula C11H21F3O3Si and a molecular weight of 286.37 g/mol. Its IUPAC name is 1,1,2-trimethoxy-2-(3,3,3-trifluoropropyl)silinane.

Molecular Properties

Compound Name1,1,2-trimethoxy-2-(3,3,3-trifluoropropyl)silinane
PubChem CID174815092
Molecular FormulaC11H21F3O3Si
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name1,1,2-trimethoxy-2-(3,3,3-trifluoropropyl)silinane
SMILESCOC1(CCC(F)(F)F)CCCC[Si]1(OC)OC
InChIInChI=1S/C11H21F3O3Si/c1-15-10(7-8-11(12,13)14)6-4-5-9-18(10,16-2)17-3/h4-9H2,1-3H3
InChIKeyWRLRSYAWQCXHTI-UHFFFAOYSA-N
XLogP3.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.17
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

2-Methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane
CID 19688934
Trimethyl-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane
CID 69887080
2,2-Dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane
CID 70183797
2,2-Dimethyl-6-(4,4,4-trifluorobutyl)oxasilinane
CID 173600801
1,1,2-Trimethoxy-2-propyl-3-(trifluoromethyl)silinane
CID 174391507
3-Fluoro-1,1,2-trimethoxy-2-propylsilinane
CID 174485939
3-Butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane
CID 174578840
1,1,2-Triethoxy-2-(3,3,3-trifluoropropyl)silinane
CID 174600475
3,3,4-Trifluoro-1,1,2-trimethoxy-2-propylsilinane
CID 174763210
1,1,2-Triethoxy-2-ethyl-3-fluorosilinane
CID 174856524
1,1,2-Trimethoxy-2-propyl-3-(trifluoromethoxy)silinane
CID 174902298
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Henicosafluorodecyl)-1,1,2-trimethoxysilinane
CID 175157639

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethoxy-2-(3,3,3-trifluoropropyl)silinane?
The IUPAC name of 1,1,2-trimethoxy-2-(3,3,3-trifluoropropyl)silinane (CID 174815092) is 1,1,2-trimethoxy-2-(3,3,3-trifluoropropyl)silinane.
What is the SMILES notation for 1,1,2-trimethoxy-2-(3,3,3-trifluoropropyl)silinane?
The canonical SMILES for 1,1,2-trimethoxy-2-(3,3,3-trifluoropropyl)silinane is COC1(CCC(F)(F)F)CCCC[Si]1(OC)OC.
What is the InChIKey of 1,1,2-trimethoxy-2-(3,3,3-trifluoropropyl)silinane?
The InChIKey is WRLRSYAWQCXHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O3Si/c1-15-10(7-8-11(12,13)14)6-4-5-9-18(10,16-2)17-3/h4-9H2,1-3H3.
What are the key properties of 1,1,2-trimethoxy-2-(3,3,3-trifluoropropyl)silinane?
1,1,2-trimethoxy-2-(3,3,3-trifluoropropyl)silinane has a molecular weight of 286.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxy-2-(3,3,3-trifluoropropyl)silinane is sourced from PubChem (CID 174815092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).