propyl-[2-(trifluoromethyl)oxan-2-yl]silane

C9H17F3OSi — CID 173308230

IUPACpropyl-[2-(trifluoromethyl)oxan-2-yl]silane
SMILESCCC[SiH2]C1(C(F)(F)F)CCCCO1
InChIInChI=1S/C9H17F3OSi/c1-2-7-14-8(9(10,11)12)5-3-4-6-13-8/h2-7,14H2,1H3
InChIKeyXJMLAOOSAFKJPL-UHFFFAOYSA-N
MW226.31 g/mol
LogP2.44
Rot. Bonds3

About propyl-[2-(trifluoromethyl)oxan-2-yl]silane

propyl-[2-(trifluoromethyl)oxan-2-yl]silane (PubChem CID 173308230) has the molecular formula C9H17F3OSi and a molecular weight of 226.31 g/mol. Its IUPAC name is propyl-[2-(trifluoromethyl)oxan-2-yl]silane.

Molecular Properties

Compound Namepropyl-[2-(trifluoromethyl)oxan-2-yl]silane
PubChem CID173308230
Molecular FormulaC9H17F3OSi
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Namepropyl-[2-(trifluoromethyl)oxan-2-yl]silane
SMILESCCC[SiH2]C1(C(F)(F)F)CCCCO1
InChIInChI=1S/C9H17F3OSi/c1-2-7-14-8(9(10,11)12)5-3-4-6-13-8/h2-7,14H2,1H3
InChIKeyXJMLAOOSAFKJPL-UHFFFAOYSA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 propyl-[2-(trifluoromethyl)oxan-2-yl]silane?
The IUPAC name of propyl-[2-(trifluoromethyl)oxan-2-yl]silane (CID 173308230) is propyl-[2-(trifluoromethyl)oxan-2-yl]silane.
What is the SMILES notation for propyl-[2-(trifluoromethyl)oxan-2-yl]silane?
The canonical SMILES for propyl-[2-(trifluoromethyl)oxan-2-yl]silane is CCC[SiH2]C1(C(F)(F)F)CCCCO1.
What is the InChIKey of propyl-[2-(trifluoromethyl)oxan-2-yl]silane?
The InChIKey is XJMLAOOSAFKJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3OSi/c1-2-7-14-8(9(10,11)12)5-3-4-6-13-8/h2-7,14H2,1H3.
What are the key properties of propyl-[2-(trifluoromethyl)oxan-2-yl]silane?
propyl-[2-(trifluoromethyl)oxan-2-yl]silane has a molecular weight of 226.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propyl-[2-(trifluoromethyl)oxan-2-yl]silane is sourced from PubChem (CID 173308230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).