chloro-diethoxy-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane

C8H10ClF9O2Si — CID 23523513

IUPACchloro-diethoxy-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane
SMILESCCO[Si](Cl)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10ClF9O2Si/c1-3-19-21(9,20-4-2)8(17,18)6(12,13)5(10,11)7(14,15)16/h3-4H2,1-2H3
InChIKeyCEULTIQZVOXPNB-UHFFFAOYSA-N
MW372.69 g/mol
LogP4.24
Rot. Bonds7

About chloro-diethoxy-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane

chloro-diethoxy-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane (PubChem CID 23523513) has the molecular formula C8H10ClF9O2Si and a molecular weight of 372.69 g/mol. Its IUPAC name is chloro-diethoxy-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane.

Molecular Properties

Compound Namechloro-diethoxy-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane
PubChem CID23523513
Molecular FormulaC8H10ClF9O2Si
Molecular Weight372.69 g/mol
Exact Mass372.00
IUPAC Namechloro-diethoxy-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane
SMILESCCO[Si](Cl)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10ClF9O2Si/c1-3-19-21(9,20-4-2)8(17,18)6(12,13)5(10,11)7(14,15)16/h3-4H2,1-2H3
InChIKeyCEULTIQZVOXPNB-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.69
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pentafluoroethyltriethoxysilane
CID 22608748
Ethoxy-ethyl-(1-fluoroethoxy)-(1,1,2,2,2-pentafluoroethoxy)silane
CID 123733289
Methyl(3,3,3-trifluoropropyl)bis(2,2,2-trifluoroethoxy)silane
CID 129814781
Tris(2,2,2-trifluoroethoxy)-(3,3,3-trifluoropropyl)silane
CID 13878799
Triethoxy(1,1,2,2,3,3,4-heptafluoropentyl)silane
CID 17912895
Triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
CID 18519550
Triethoxy(3,3,4,4,4-pentafluorobutyl)silane
CID 19963837
Tripropoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane
CID 20513043
Triethoxy(1,1,2,2,3,3,3-heptafluoropropyl)silane
CID 22608749
Triethoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane
CID 22719450
Triethoxy(1,1,2-trifluoropropyl)silane
CID 23191180
Chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
CID 23523514

Frequently Asked Questions

What is the IUPAC name of chloro-diethoxy-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane?
The IUPAC name of chloro-diethoxy-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane (CID 23523513) is chloro-diethoxy-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane.
What is the SMILES notation for chloro-diethoxy-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane?
The canonical SMILES for chloro-diethoxy-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane is CCO[Si](Cl)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of chloro-diethoxy-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane?
The InChIKey is CEULTIQZVOXPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF9O2Si/c1-3-19-21(9,20-4-2)8(17,18)6(12,13)5(10,11)7(14,15)16/h3-4H2,1-2H3.
What are the key properties of chloro-diethoxy-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane?
chloro-diethoxy-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane has a molecular weight of 372.69 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-diethoxy-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane is sourced from PubChem (CID 23523513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).