2-methyl-2-(3,3,3-trifluoropropyl)oxasilocane

C10H19F3OSi — CID 58150391

IUPAC2-methyl-2-(3,3,3-trifluoropropyl)oxasilocane
SMILESC[Si]1(CCC(F)(F)F)CCCCCCO1
InChIInChI=1S/C10H19F3OSi/c1-15(9-6-10(11,12)13)8-5-3-2-4-7-14-15/h2-9H2,1H3
InChIKeyZEDRRPRQSLXKRZ-UHFFFAOYSA-N
MW240.34 g/mol
LogP4.10
Rot. Bonds2

About 2-methyl-2-(3,3,3-trifluoropropyl)oxasilocane

2-methyl-2-(3,3,3-trifluoropropyl)oxasilocane (PubChem CID 58150391) has the molecular formula C10H19F3OSi and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-methyl-2-(3,3,3-trifluoropropyl)oxasilocane.

Molecular Properties

Compound Name2-methyl-2-(3,3,3-trifluoropropyl)oxasilocane
PubChem CID58150391
Molecular FormulaC10H19F3OSi
Molecular Weight240.34 g/mol
Exact Mass240.12
IUPAC Name2-methyl-2-(3,3,3-trifluoropropyl)oxasilocane
SMILESC[Si]1(CCC(F)(F)F)CCCCCCO1
InChIInChI=1S/C10H19F3OSi/c1-15(9-6-10(11,12)13)8-5-3-2-4-7-14-15/h2-9H2,1H3
InChIKeyZEDRRPRQSLXKRZ-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(3,3,3-trifluoropropyl)oxasilocane 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 2-methyl-2-(3,3,3-trifluoropropyl)oxasilocane?
The IUPAC name of 2-methyl-2-(3,3,3-trifluoropropyl)oxasilocane (CID 58150391) is 2-methyl-2-(3,3,3-trifluoropropyl)oxasilocane.
What is the SMILES notation for 2-methyl-2-(3,3,3-trifluoropropyl)oxasilocane?
The canonical SMILES for 2-methyl-2-(3,3,3-trifluoropropyl)oxasilocane is C[Si]1(CCC(F)(F)F)CCCCCCO1.
What is the InChIKey of 2-methyl-2-(3,3,3-trifluoropropyl)oxasilocane?
The InChIKey is ZEDRRPRQSLXKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3OSi/c1-15(9-6-10(11,12)13)8-5-3-2-4-7-14-15/h2-9H2,1H3.
What are the key properties of 2-methyl-2-(3,3,3-trifluoropropyl)oxasilocane?
2-methyl-2-(3,3,3-trifluoropropyl)oxasilocane has a molecular weight of 240.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3,3,3-trifluoropropyl)oxasilocane is sourced from PubChem (CID 58150391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).