1,1,2-trimethoxy-2-propyl-3-(trifluoromethyl)silinane

C12H23F3O3Si — CID 174391507

IUPAC1,1,2-trimethoxy-2-propyl-3-(trifluoromethyl)silinane
SMILESCCCC1(OC)C(C(F)(F)F)CCC[Si]1(OC)OC
InChIInChI=1S/C12H23F3O3Si/c1-5-8-11(16-2)10(12(13,14)15)7-6-9-19(11,17-3)18-4/h10H,5-9H2,1-4H3
InChIKeyFBDZNRQSFVEERA-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.42
Rot. Bonds5

About 1,1,2-trimethoxy-2-propyl-3-(trifluoromethyl)silinane

1,1,2-trimethoxy-2-propyl-3-(trifluoromethyl)silinane (PubChem CID 174391507) has the molecular formula C12H23F3O3Si and a molecular weight of 300.39 g/mol. Its IUPAC name is 1,1,2-trimethoxy-2-propyl-3-(trifluoromethyl)silinane.

Molecular Properties

Compound Name1,1,2-trimethoxy-2-propyl-3-(trifluoromethyl)silinane
PubChem CID174391507
Molecular FormulaC12H23F3O3Si
Molecular Weight300.39 g/mol
Exact Mass300.14
IUPAC Name1,1,2-trimethoxy-2-propyl-3-(trifluoromethyl)silinane
SMILESCCCC1(OC)C(C(F)(F)F)CCC[Si]1(OC)OC
InChIInChI=1S/C12H23F3O3Si/c1-5-8-11(16-2)10(12(13,14)15)7-6-9-19(11,17-3)18-4/h10H,5-9H2,1-4H3
InChIKeyFBDZNRQSFVEERA-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.42
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

2,2-Dimethyl-6-(3,4,4-trifluorobutan-2-yl)oxasilinane
CID 66776988
2,2-Dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane
CID 67839746
3-Butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane
CID 174578840
3-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctan-2-yl)-1,1,2-trimethoxy-4-methyl-2-propylsilinane
CID 174593884
1,1,2-Trimethoxy-4-methyl-2-propyl-3-(1,1,1,2-tetrafluorooctan-2-yl)silinane
CID 174593885
1,1,2-Triethoxy-3-ethyl-2-(trifluoromethyl)silinane
CID 174600477
3,3,4-Trifluoro-1,1,2-trimethoxy-2-propylsilinane
CID 174763210
1,1,2-Triethoxy-2-ethyl-3-(3,3,3-trifluoropropyl)silinane
CID 174814329
1,1,2-Triethoxy-2-ethyl-3-(2,3,3-trifluoropropyl)silinane
CID 174814330
1,1,2-Trimethoxy-2-(3,3,3-trifluoropropyl)silinane
CID 174815092
1,1,2-Trimethoxy-2-propyl-3-(1,3,3-trifluoroprop-2-enyl)silinane
CID 174865498
3,3,4,4,5,5-Hexafluoro-1,1,2-trimethoxy-2-propylsilinane
CID 175292169

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethoxy-2-propyl-3-(trifluoromethyl)silinane?
The IUPAC name of 1,1,2-trimethoxy-2-propyl-3-(trifluoromethyl)silinane (CID 174391507) is 1,1,2-trimethoxy-2-propyl-3-(trifluoromethyl)silinane.
What is the SMILES notation for 1,1,2-trimethoxy-2-propyl-3-(trifluoromethyl)silinane?
The canonical SMILES for 1,1,2-trimethoxy-2-propyl-3-(trifluoromethyl)silinane is CCCC1(OC)C(C(F)(F)F)CCC[Si]1(OC)OC.
What is the InChIKey of 1,1,2-trimethoxy-2-propyl-3-(trifluoromethyl)silinane?
The InChIKey is FBDZNRQSFVEERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O3Si/c1-5-8-11(16-2)10(12(13,14)15)7-6-9-19(11,17-3)18-4/h10H,5-9H2,1-4H3.
What are the key properties of 1,1,2-trimethoxy-2-propyl-3-(trifluoromethyl)silinane?
1,1,2-trimethoxy-2-propyl-3-(trifluoromethyl)silinane has a molecular weight of 300.39 g/mol, XLogP of 3.42, 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-propyl-3-(trifluoromethyl)silinane is sourced from PubChem (CID 174391507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).