3,3,4-trifluoro-1,1,2-trimethoxy-2-propylsilinane

C11H21F3O3Si — CID 174763210

IUPAC3,3,4-trifluoro-1,1,2-trimethoxy-2-propylsilinane
SMILESCCCC1(OC)C(F)(F)C(F)CC[Si]1(OC)OC
InChIInChI=1S/C11H21F3O3Si/c1-5-7-10(15-2)11(13,14)9(12)6-8-18(10,16-3)17-4/h9H,5-8H2,1-4H3
InChIKeyIOXUKBXEWCUEQK-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.82
Rot. Bonds5

About 3,3,4-trifluoro-1,1,2-trimethoxy-2-propylsilinane

3,3,4-trifluoro-1,1,2-trimethoxy-2-propylsilinane (PubChem CID 174763210) has the molecular formula C11H21F3O3Si and a molecular weight of 286.37 g/mol. Its IUPAC name is 3,3,4-trifluoro-1,1,2-trimethoxy-2-propylsilinane.

Molecular Properties

Compound Name3,3,4-trifluoro-1,1,2-trimethoxy-2-propylsilinane
PubChem CID174763210
Molecular FormulaC11H21F3O3Si
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name3,3,4-trifluoro-1,1,2-trimethoxy-2-propylsilinane
SMILESCCCC1(OC)C(F)(F)C(F)CC[Si]1(OC)OC
InChIInChI=1S/C11H21F3O3Si/c1-5-7-10(15-2)11(13,14)9(12)6-8-18(10,16-3)17-4/h9H,5-8H2,1-4H3
InChIKeyIOXUKBXEWCUEQK-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-trifluoro-1,1,2-trimethoxy-2-propylsilinane?
The IUPAC name of 3,3,4-trifluoro-1,1,2-trimethoxy-2-propylsilinane (CID 174763210) is 3,3,4-trifluoro-1,1,2-trimethoxy-2-propylsilinane.
What is the SMILES notation for 3,3,4-trifluoro-1,1,2-trimethoxy-2-propylsilinane?
The canonical SMILES for 3,3,4-trifluoro-1,1,2-trimethoxy-2-propylsilinane is CCCC1(OC)C(F)(F)C(F)CC[Si]1(OC)OC.
What is the InChIKey of 3,3,4-trifluoro-1,1,2-trimethoxy-2-propylsilinane?
The InChIKey is IOXUKBXEWCUEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O3Si/c1-5-7-10(15-2)11(13,14)9(12)6-8-18(10,16-3)17-4/h9H,5-8H2,1-4H3.
What are the key properties of 3,3,4-trifluoro-1,1,2-trimethoxy-2-propylsilinane?
3,3,4-trifluoro-1,1,2-trimethoxy-2-propylsilinane has a molecular weight of 286.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluoro-1,1,2-trimethoxy-2-propylsilinane is sourced from PubChem (CID 174763210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).