3-[5,5-difluoro-1-(3,3,5,5-tetrafluorohexoxy)heptan-2-yl]oxypropyl-trimethoxysilane

C19H36F6O5Si — CID 89088106

IUPAC3-[5,5-difluoro-1-(3,3,5,5-tetrafluorohexoxy)heptan-2-yl]oxypropyl-trimethoxysilane
SMILESCCC(F)(F)CCC(COCCC(F)(F)CC(C)(F)F)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C19H36F6O5Si/c1-6-18(22,23)9-8-16(30-11-7-13-31(26-3,27-4)28-5)14-29-12-10-19(24,25)15-17(2,20)21/h16H,6-15H2,1-5H3
InChIKeyLROKTJMXCJMIHG-UHFFFAOYSA-N
MW486.57 g/mol
LogP5.55
Rot. Bonds19

About 3-[5,5-difluoro-1-(3,3,5,5-tetrafluorohexoxy)heptan-2-yl]oxypropyl-trimethoxysilane

3-[5,5-difluoro-1-(3,3,5,5-tetrafluorohexoxy)heptan-2-yl]oxypropyl-trimethoxysilane (PubChem CID 89088106) has the molecular formula C19H36F6O5Si and a molecular weight of 486.57 g/mol. Its IUPAC name is 3-[5,5-difluoro-1-(3,3,5,5-tetrafluorohexoxy)heptan-2-yl]oxypropyl-trimethoxysilane.

Molecular Properties

Compound Name3-[5,5-difluoro-1-(3,3,5,5-tetrafluorohexoxy)heptan-2-yl]oxypropyl-trimethoxysilane
PubChem CID89088106
Molecular FormulaC19H36F6O5Si
Molecular Weight486.57 g/mol
Exact Mass486.22
IUPAC Name3-[5,5-difluoro-1-(3,3,5,5-tetrafluorohexoxy)heptan-2-yl]oxypropyl-trimethoxysilane
SMILESCCC(F)(F)CCC(COCCC(F)(F)CC(C)(F)F)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C19H36F6O5Si/c1-6-18(22,23)9-8-16(30-11-7-13-31(26-3,27-4)28-5)14-29-12-10-19(24,25)15-17(2,20)21/h16H,6-15H2,1-5H3
InChIKeyLROKTJMXCJMIHG-UHFFFAOYSA-N
XLogP5.55
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5,5-difluoro-1-(3,3,5,5-tetrafluorohexoxy)heptan-2-yl]oxypropyl-trimethoxysilane?
The IUPAC name of 3-[5,5-difluoro-1-(3,3,5,5-tetrafluorohexoxy)heptan-2-yl]oxypropyl-trimethoxysilane (CID 89088106) is 3-[5,5-difluoro-1-(3,3,5,5-tetrafluorohexoxy)heptan-2-yl]oxypropyl-trimethoxysilane.
What is the SMILES notation for 3-[5,5-difluoro-1-(3,3,5,5-tetrafluorohexoxy)heptan-2-yl]oxypropyl-trimethoxysilane?
The canonical SMILES for 3-[5,5-difluoro-1-(3,3,5,5-tetrafluorohexoxy)heptan-2-yl]oxypropyl-trimethoxysilane is CCC(F)(F)CCC(COCCC(F)(F)CC(C)(F)F)OCCC[Si](OC)(OC)OC.
What is the InChIKey of 3-[5,5-difluoro-1-(3,3,5,5-tetrafluorohexoxy)heptan-2-yl]oxypropyl-trimethoxysilane?
The InChIKey is LROKTJMXCJMIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36F6O5Si/c1-6-18(22,23)9-8-16(30-11-7-13-31(26-3,27-4)28-5)14-29-12-10-19(24,25)15-17(2,20)21/h16H,6-15H2,1-5H3.
What are the key properties of 3-[5,5-difluoro-1-(3,3,5,5-tetrafluorohexoxy)heptan-2-yl]oxypropyl-trimethoxysilane?
3-[5,5-difluoro-1-(3,3,5,5-tetrafluorohexoxy)heptan-2-yl]oxypropyl-trimethoxysilane has a molecular weight of 486.57 g/mol, XLogP of 5.55, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,5-difluoro-1-(3,3,5,5-tetrafluorohexoxy)heptan-2-yl]oxypropyl-trimethoxysilane is sourced from PubChem (CID 89088106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).