2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trimethyl)silane

C10H12F12OSi — CID 11014955

IUPAC2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trimethyl)silane
SMILESC[Si](C)(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H12F12OSi/c1-24(2,3)23-4-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h5H,4H2,1-3H3
InChIKeyGDEBFZYIUPIZAR-UHFFFAOYSA-N
MW404.27 g/mol
LogP5.28
Rot. Bonds8

About 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trimethyl)silane

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trimethyl)silane (PubChem CID 11014955) has the molecular formula C10H12F12OSi and a molecular weight of 404.27 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trimethyl)silane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trimethyl)silane
PubChem CID11014955
Molecular FormulaC10H12F12OSi
Molecular Weight404.27 g/mol
Exact Mass404.05
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trimethyl)silane
SMILESC[Si](C)(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H12F12OSi/c1-24(2,3)23-4-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h5H,4H2,1-3H3
InChIKeyGDEBFZYIUPIZAR-UHFFFAOYSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.27
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trimethyl)silane?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trimethyl)silane (CID 11014955) is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trimethyl)silane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trimethyl)silane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trimethyl)silane is C[Si](C)(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trimethyl)silane?
The InChIKey is GDEBFZYIUPIZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F12OSi/c1-24(2,3)23-4-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h5H,4H2,1-3H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trimethyl)silane?
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trimethyl)silane has a molecular weight of 404.27 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trimethyl)silane is sourced from PubChem (CID 11014955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).