triethoxy-(2,3,4,5-tetrafluoro-6-heptylphenyl)silane

C19H30F4O3Si — CID 22377051

IUPACtriethoxy-(2,3,4,5-tetrafluoro-6-heptylphenyl)silane
SMILESCCCCCCCc1c(F)c(F)c(F)c(F)c1[Si](OCC)(OCC)OCC
InChIInChI=1S/C19H30F4O3Si/c1-5-9-10-11-12-13-14-15(20)16(21)17(22)18(23)19(14)27(24-6-2,25-7-3)26-8-4/h5-13H2,1-4H3
InChIKeyOKVVLSLXIDBVOL-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.01
Rot. Bonds13

About triethoxy-(2,3,4,5-tetrafluoro-6-heptylphenyl)silane

triethoxy-(2,3,4,5-tetrafluoro-6-heptylphenyl)silane (PubChem CID 22377051) has the molecular formula C19H30F4O3Si and a molecular weight of 410.52 g/mol. Its IUPAC name is triethoxy-(2,3,4,5-tetrafluoro-6-heptylphenyl)silane.

Molecular Properties

Compound Nametriethoxy-(2,3,4,5-tetrafluoro-6-heptylphenyl)silane
PubChem CID22377051
Molecular FormulaC19H30F4O3Si
Molecular Weight410.52 g/mol
Exact Mass410.19
IUPAC Nametriethoxy-(2,3,4,5-tetrafluoro-6-heptylphenyl)silane
SMILESCCCCCCCc1c(F)c(F)c(F)c(F)c1[Si](OCC)(OCC)OCC
InChIInChI=1S/C19H30F4O3Si/c1-5-9-10-11-12-13-14-15(20)16(21)17(22)18(23)19(14)27(24-6-2,25-7-3)26-8-4/h5-13H2,1-4H3
InChIKeyOKVVLSLXIDBVOL-UHFFFAOYSA-N
XLogP5.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethoxy-(2,3,4,5-tetrafluoro-6-heptylphenyl)silane?
The IUPAC name of triethoxy-(2,3,4,5-tetrafluoro-6-heptylphenyl)silane (CID 22377051) is triethoxy-(2,3,4,5-tetrafluoro-6-heptylphenyl)silane.
What is the SMILES notation for triethoxy-(2,3,4,5-tetrafluoro-6-heptylphenyl)silane?
The canonical SMILES for triethoxy-(2,3,4,5-tetrafluoro-6-heptylphenyl)silane is CCCCCCCc1c(F)c(F)c(F)c(F)c1[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-(2,3,4,5-tetrafluoro-6-heptylphenyl)silane?
The InChIKey is OKVVLSLXIDBVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F4O3Si/c1-5-9-10-11-12-13-14-15(20)16(21)17(22)18(23)19(14)27(24-6-2,25-7-3)26-8-4/h5-13H2,1-4H3.
What are the key properties of triethoxy-(2,3,4,5-tetrafluoro-6-heptylphenyl)silane?
triethoxy-(2,3,4,5-tetrafluoro-6-heptylphenyl)silane has a molecular weight of 410.52 g/mol, XLogP of 5.01, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-(2,3,4,5-tetrafluoro-6-heptylphenyl)silane is sourced from PubChem (CID 22377051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).