triethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane

C14H27F3O4Si — CID 69483329

IUPACtriethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane
SMILESCCO[Si](OCC)(OCC)C1(CCC(F)(F)F)CCCCO1
InChIInChI=1S/C14H27F3O4Si/c1-4-19-22(20-5-2,21-6-3)13(9-7-8-12-18-13)10-11-14(15,16)17/h4-12H2,1-3H3
InChIKeyBRTBTRJHWRTVLQ-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.86
Rot. Bonds9

About triethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane

triethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane (PubChem CID 69483329) has the molecular formula C14H27F3O4Si and a molecular weight of 344.45 g/mol. Its IUPAC name is triethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane.

Molecular Properties

Compound Nametriethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane
PubChem CID69483329
Molecular FormulaC14H27F3O4Si
Molecular Weight344.45 g/mol
Exact Mass344.16
IUPAC Nametriethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane
SMILESCCO[Si](OCC)(OCC)C1(CCC(F)(F)F)CCCCO1
InChIInChI=1S/C14H27F3O4Si/c1-4-19-22(20-5-2,21-6-3)13(9-7-8-12-18-13)10-11-14(15,16)17/h4-12H2,1-3H3
InChIKeyBRTBTRJHWRTVLQ-UHFFFAOYSA-N
XLogP3.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 triethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane?
The IUPAC name of triethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane (CID 69483329) is triethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane.
What is the SMILES notation for triethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane?
The canonical SMILES for triethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane is CCO[Si](OCC)(OCC)C1(CCC(F)(F)F)CCCCO1.
What is the InChIKey of triethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane?
The InChIKey is BRTBTRJHWRTVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3O4Si/c1-4-19-22(20-5-2,21-6-3)13(9-7-8-12-18-13)10-11-14(15,16)17/h4-12H2,1-3H3.
What are the key properties of triethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane?
triethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane has a molecular weight of 344.45 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane is sourced from PubChem (CID 69483329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).