1-fluoroheptadecane;triethoxysilane

C23H51FO3Si — CID 175602103

IUPAC1-fluoroheptadecane;triethoxysilane
SMILESCCCCCCCCCCCCCCCCCF.CCO[SiH](OCC)OCC
InChIInChI=1S/C17H35F.C6H16O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-4-7-10(8-5-2)9-6-3/h2-17H2,1H3;10H,4-6H2,1-3H3
InChIKeyYPXKUCNWBAVQOB-UHFFFAOYSA-N
MW422.74 g/mol
LogP7.64
Rot. Bonds21

About 1-fluoroheptadecane;triethoxysilane

1-fluoroheptadecane;triethoxysilane (PubChem CID 175602103) has the molecular formula C23H51FO3Si and a molecular weight of 422.74 g/mol. Its IUPAC name is 1-fluoroheptadecane;triethoxysilane.

Molecular Properties

Compound Name1-fluoroheptadecane;triethoxysilane
PubChem CID175602103
Molecular FormulaC23H51FO3Si
Molecular Weight422.74 g/mol
Exact Mass422.36
IUPAC Name1-fluoroheptadecane;triethoxysilane
SMILESCCCCCCCCCCCCCCCCCF.CCO[SiH](OCC)OCC
InChIInChI=1S/C17H35F.C6H16O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-4-7-10(8-5-2)9-6-3/h2-17H2,1H3;10H,4-6H2,1-3H3
InChIKeyYPXKUCNWBAVQOB-UHFFFAOYSA-N
XLogP7.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.74
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexadecane;triethoxysilane
CID 164978259
1-fluorododecane;hexane
CID 174651345
1-fluoroheptatriacontane
CID 54496561
azane;1-fluorododecane
CID 175529210
1-fluoropentane;methane
CID 160548083
1-fluoropentane;hydrofluoride
CID 159001340
diethoxy(tetracosyl)silane
CID 151502912
fluoro hypofluorite;bis(triethoxysilane)
CID 173332294
tri(undecoxy)silane
CID 123875078
boric acid;1-fluorooctane
CID 174838883
butoxy(diethoxy)silane;methanamine
CID 173001020
ethane;1-fluoro-15-pentoxypentadecane
CID 145255757

Frequently Asked Questions

What is the IUPAC name of 1-fluoroheptadecane;triethoxysilane?
The IUPAC name of 1-fluoroheptadecane;triethoxysilane (CID 175602103) is 1-fluoroheptadecane;triethoxysilane.
What is the SMILES notation for 1-fluoroheptadecane;triethoxysilane?
The canonical SMILES for 1-fluoroheptadecane;triethoxysilane is CCCCCCCCCCCCCCCCCF.CCO[SiH](OCC)OCC.
What is the InChIKey of 1-fluoroheptadecane;triethoxysilane?
The InChIKey is YPXKUCNWBAVQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35F.C6H16O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-4-7-10(8-5-2)9-6-3/h2-17H2,1H3;10H,4-6H2,1-3H3.
What are the key properties of 1-fluoroheptadecane;triethoxysilane?
1-fluoroheptadecane;triethoxysilane has a molecular weight of 422.74 g/mol, XLogP of 7.64, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroheptadecane;triethoxysilane is sourced from PubChem (CID 175602103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).