3,4,5-trifluoro-2,2,6-trimethyl-6-propyloxasilinane

C10H19F3OSi — CID 87728885

IUPAC3,4,5-trifluoro-2,2,6-trimethyl-6-propyloxasilinane
SMILESCCCC1(C)O[Si](C)(C)C(F)C(F)C1F
InChIInChI=1S/C10H19F3OSi/c1-5-6-10(2)8(12)7(11)9(13)15(3,4)14-10/h7-9H,5-6H2,1-4H3
InChIKeyRPEMZKDHDTZZEI-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.33
Rot. Bonds2

About 3,4,5-trifluoro-2,2,6-trimethyl-6-propyloxasilinane

3,4,5-trifluoro-2,2,6-trimethyl-6-propyloxasilinane (PubChem CID 87728885) has the molecular formula C10H19F3OSi and a molecular weight of 240.34 g/mol. Its IUPAC name is 3,4,5-trifluoro-2,2,6-trimethyl-6-propyloxasilinane.

Molecular Properties

Compound Name3,4,5-trifluoro-2,2,6-trimethyl-6-propyloxasilinane
PubChem CID87728885
Molecular FormulaC10H19F3OSi
Molecular Weight240.34 g/mol
Exact Mass240.12
IUPAC Name3,4,5-trifluoro-2,2,6-trimethyl-6-propyloxasilinane
SMILESCCCC1(C)O[Si](C)(C)C(F)C(F)C1F
InChIInChI=1S/C10H19F3OSi/c1-5-6-10(2)8(12)7(11)9(13)15(3,4)14-10/h7-9H,5-6H2,1-4H3
InChIKeyRPEMZKDHDTZZEI-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4,5-trifluoro-2,2,6-trimethyl-6-propyloxasilinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-2,2,6-trimethyl-6-propyloxasilinane?
The IUPAC name of 3,4,5-trifluoro-2,2,6-trimethyl-6-propyloxasilinane (CID 87728885) is 3,4,5-trifluoro-2,2,6-trimethyl-6-propyloxasilinane.
What is the SMILES notation for 3,4,5-trifluoro-2,2,6-trimethyl-6-propyloxasilinane?
The canonical SMILES for 3,4,5-trifluoro-2,2,6-trimethyl-6-propyloxasilinane is CCCC1(C)O[Si](C)(C)C(F)C(F)C1F.
What is the InChIKey of 3,4,5-trifluoro-2,2,6-trimethyl-6-propyloxasilinane?
The InChIKey is RPEMZKDHDTZZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3OSi/c1-5-6-10(2)8(12)7(11)9(13)15(3,4)14-10/h7-9H,5-6H2,1-4H3.
What are the key properties of 3,4,5-trifluoro-2,2,6-trimethyl-6-propyloxasilinane?
3,4,5-trifluoro-2,2,6-trimethyl-6-propyloxasilinane has a molecular weight of 240.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-2,2,6-trimethyl-6-propyloxasilinane is sourced from PubChem (CID 87728885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).