oxan-3-yl(3,3,3-trifluoropropyl)silane

C8H15F3OSi — CID 123647823

IUPACoxan-3-yl(3,3,3-trifluoropropyl)silane
SMILESFC(F)(F)CC[SiH2]C1CCCOC1
InChIInChI=1S/C8H15F3OSi/c9-8(10,11)3-5-13-7-2-1-4-12-6-7/h7H,1-6,13H2
InChIKeyYAJFCOGZBXTTMK-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.12
Rot. Bonds3

About oxan-3-yl(3,3,3-trifluoropropyl)silane

oxan-3-yl(3,3,3-trifluoropropyl)silane (PubChem CID 123647823) has the molecular formula C8H15F3OSi and a molecular weight of 212.29 g/mol. Its IUPAC name is oxan-3-yl(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Nameoxan-3-yl(3,3,3-trifluoropropyl)silane
PubChem CID123647823
Molecular FormulaC8H15F3OSi
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Nameoxan-3-yl(3,3,3-trifluoropropyl)silane
SMILESFC(F)(F)CC[SiH2]C1CCCOC1
InChIInChI=1S/C8H15F3OSi/c9-8(10,11)3-5-13-7-2-1-4-12-6-7/h7H,1-6,13H2
InChIKeyYAJFCOGZBXTTMK-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.12
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 oxan-3-yl(3,3,3-trifluoropropyl)silane?
The IUPAC name of oxan-3-yl(3,3,3-trifluoropropyl)silane (CID 123647823) is oxan-3-yl(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for oxan-3-yl(3,3,3-trifluoropropyl)silane?
The canonical SMILES for oxan-3-yl(3,3,3-trifluoropropyl)silane is FC(F)(F)CC[SiH2]C1CCCOC1.
What is the InChIKey of oxan-3-yl(3,3,3-trifluoropropyl)silane?
The InChIKey is YAJFCOGZBXTTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3OSi/c9-8(10,11)3-5-13-7-2-1-4-12-6-7/h7H,1-6,13H2.
What are the key properties of oxan-3-yl(3,3,3-trifluoropropyl)silane?
oxan-3-yl(3,3,3-trifluoropropyl)silane has a molecular weight of 212.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 123647823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).