1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane

C8H7F13OSi — CID 174993252

IUPAC1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane
SMILESFC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)O[SiH3]
InChIInChI=1S/C8H7F13OSi/c9-3(10,1-2-4(11,12)13)5(14,15)6(16,17)7(18,19)8(20,21)22-23/h1-2H2,23H3
InChIKeyLNELGSJCQTVACA-UHFFFAOYSA-N
MW394.20 g/mol
LogP3.76
Rot. Bonds7

About 1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane

1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane (PubChem CID 174993252) has the molecular formula C8H7F13OSi and a molecular weight of 394.20 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane
PubChem CID174993252
Molecular FormulaC8H7F13OSi
Molecular Weight394.20 g/mol
Exact Mass394.01
IUPAC Name1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane
SMILESFC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)O[SiH3]
InChIInChI=1S/C8H7F13OSi/c9-3(10,1-2-4(11,12)13)5(14,15)6(16,17)7(18,19)8(20,21)22-23/h1-2H2,23H3
InChIKeyLNELGSJCQTVACA-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.20
LogP ≤ 53.76
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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Related Compounds

1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl acetate
CID 89413806
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,18,18,18-tritriacontafluorooctadecan-1-ol
CID 88632833
1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl 5,5,5-trifluoro-2-methylpent-2-enoate
CID 151533404
1,1,2,2,3,3,4,4,5,5,6,6,7,7,12,12,12-heptadecafluorododecyl prop-2-enoate
CID 87847189
1,1,2,2,3,3,4,4,5,5,10,10,10-tridecafluorodecyl prop-2-enoate
CID 175790972
1,1,2,2,3,3,6,6,6-nonafluorohexyl dihydrogen phosphate
CID 87764854
diethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane
CID 87247873
1,1,2,2,3,3,4,4,5,5,6,6,11,11,11-pentadecafluoroundecyl 2-methylprop-2-enoate
CID 168875432
1,1,1,2,2,5,5,5-octafluoropentane
CID 22457046
methoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane
CID 173374467
1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl prop-2-enoate;2-hydroxyethyl prop-2-enoate
CID 162207507
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane (CID 174993252) is 1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane is FC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)O[SiH3].
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane?
The InChIKey is LNELGSJCQTVACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F13OSi/c9-3(10,1-2-4(11,12)13)5(14,15)6(16,17)7(18,19)8(20,21)22-23/h1-2H2,23H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane?
1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane has a molecular weight of 394.20 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane is sourced from PubChem (CID 174993252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).