triethoxy-[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl]silane

C15H21F13O3Si — CID 14794618

IUPACtriethoxy-[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl]silane
SMILESCCO[Si](CCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C15H21F13O3Si/c1-4-29-32(30-5-2,31-6-3)9-7-8-10(13(20,21)22,14(23,24)25)11(16,17)12(18,19)15(26,27)28/h4-9H2,1-3H3
InChIKeyJVAFDQZZUMUFSM-UHFFFAOYSA-N
MW524.39 g/mol
LogP6.76
Rot. Bonds12

About triethoxy-[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl]silane

triethoxy-[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl]silane (PubChem CID 14794618) has the molecular formula C15H21F13O3Si and a molecular weight of 524.39 g/mol. Its IUPAC name is triethoxy-[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl]silane.

Molecular Properties

Compound Nametriethoxy-[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl]silane
PubChem CID14794618
Molecular FormulaC15H21F13O3Si
Molecular Weight524.39 g/mol
Exact Mass524.11
IUPAC Nametriethoxy-[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl]silane
SMILESCCO[Si](CCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C15H21F13O3Si/c1-4-29-32(30-5-2,31-6-3)9-7-8-10(13(20,21)22,14(23,24)25)11(16,17)12(18,19)15(26,27)28/h4-9H2,1-3H3
InChIKeyJVAFDQZZUMUFSM-UHFFFAOYSA-N
XLogP6.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.39
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 triethoxy-[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl]silane?
The IUPAC name of triethoxy-[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl]silane (CID 14794618) is triethoxy-[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl]silane.
What is the SMILES notation for triethoxy-[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl]silane?
The canonical SMILES for triethoxy-[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl]silane is CCO[Si](CCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC.
What is the InChIKey of triethoxy-[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl]silane?
The InChIKey is JVAFDQZZUMUFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F13O3Si/c1-4-29-32(30-5-2,31-6-3)9-7-8-10(13(20,21)22,14(23,24)25)11(16,17)12(18,19)15(26,27)28/h4-9H2,1-3H3.
What are the key properties of triethoxy-[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl]silane?
triethoxy-[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl]silane has a molecular weight of 524.39 g/mol, XLogP of 6.76, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl]silane is sourced from PubChem (CID 14794618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).