methyl-di(propan-2-yloxy)-(2,2,2-trifluoroethyl)silane

C9H19F3O2Si — CID 87247679

IUPACmethyl-di(propan-2-yloxy)-(2,2,2-trifluoroethyl)silane
SMILESCC(C)O[Si](C)(CC(F)(F)F)OC(C)C
InChIInChI=1S/C9H19F3O2Si/c1-7(2)13-15(5,14-8(3)4)6-9(10,11)12/h7-8H,6H2,1-5H3
InChIKeyNYNUHRSRXWVIOK-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.47
Rot. Bonds5

About methyl-di(propan-2-yloxy)-(2,2,2-trifluoroethyl)silane

methyl-di(propan-2-yloxy)-(2,2,2-trifluoroethyl)silane (PubChem CID 87247679) has the molecular formula C9H19F3O2Si and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl-di(propan-2-yloxy)-(2,2,2-trifluoroethyl)silane.

Molecular Properties

Compound Namemethyl-di(propan-2-yloxy)-(2,2,2-trifluoroethyl)silane
PubChem CID87247679
Molecular FormulaC9H19F3O2Si
Molecular Weight244.33 g/mol
Exact Mass244.11
IUPAC Namemethyl-di(propan-2-yloxy)-(2,2,2-trifluoroethyl)silane
SMILESCC(C)O[Si](C)(CC(F)(F)F)OC(C)C
InChIInChI=1S/C9H19F3O2Si/c1-7(2)13-15(5,14-8(3)4)6-9(10,11)12/h7-8H,6H2,1-5H3
InChIKeyNYNUHRSRXWVIOK-UHFFFAOYSA-N
XLogP3.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl-di(propan-2-yloxy)-(2,2,2-trifluoroethyl)silane?
The IUPAC name of methyl-di(propan-2-yloxy)-(2,2,2-trifluoroethyl)silane (CID 87247679) is methyl-di(propan-2-yloxy)-(2,2,2-trifluoroethyl)silane.
What is the SMILES notation for methyl-di(propan-2-yloxy)-(2,2,2-trifluoroethyl)silane?
The canonical SMILES for methyl-di(propan-2-yloxy)-(2,2,2-trifluoroethyl)silane is CC(C)O[Si](C)(CC(F)(F)F)OC(C)C.
What is the InChIKey of methyl-di(propan-2-yloxy)-(2,2,2-trifluoroethyl)silane?
The InChIKey is NYNUHRSRXWVIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3O2Si/c1-7(2)13-15(5,14-8(3)4)6-9(10,11)12/h7-8H,6H2,1-5H3.
What are the key properties of methyl-di(propan-2-yloxy)-(2,2,2-trifluoroethyl)silane?
methyl-di(propan-2-yloxy)-(2,2,2-trifluoroethyl)silane has a molecular weight of 244.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-di(propan-2-yloxy)-(2,2,2-trifluoroethyl)silane is sourced from PubChem (CID 87247679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).