trimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane

C11H22Cl3FO3Si — CID 175038963

IUPACtrimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane
SMILESCO[Si](OC)(OC)C(F)C(Cl)C(Cl)CCCCCCl
InChIInChI=1S/C11H22Cl3FO3Si/c1-16-19(17-2,18-3)11(15)10(14)9(13)7-5-4-6-8-12/h9-11H,4-8H2,1-3H3
InChIKeyJISUVVRVQQOYIM-UHFFFAOYSA-N
MW355.74 g/mol
LogP3.76
Rot. Bonds11

About trimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane

trimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane (PubChem CID 175038963) has the molecular formula C11H22Cl3FO3Si and a molecular weight of 355.74 g/mol. Its IUPAC name is trimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane.

Molecular Properties

Compound Nametrimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane
PubChem CID175038963
Molecular FormulaC11H22Cl3FO3Si
Molecular Weight355.74 g/mol
Exact Mass354.04
IUPAC Nametrimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane
SMILESCO[Si](OC)(OC)C(F)C(Cl)C(Cl)CCCCCCl
InChIInChI=1S/C11H22Cl3FO3Si/c1-16-19(17-2,18-3)11(15)10(14)9(13)7-5-4-6-8-12/h9-11H,4-8H2,1-3H3
InChIKeyJISUVVRVQQOYIM-UHFFFAOYSA-N
XLogP3.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.74
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,3,7-pentachloroheptane
CID 90233122
2,3,9-trichlorononane-1,1-diol
CID 118275866
3,4,18-trichloro-2-methyloctadecanoic acid
CID 87906411
1,5,6,7,8,9-hexachlorodecane
CID 88737349
2,3,4,18-tetrachlorooctadecanoic acid
CID 118195492
2,6-dichlorohexyl(methyl)silane
CID 175534769
28-chlorooctacosyl(trimethoxy)silane
CID 87680981
8-chloro-3-fluorooct-1-yne
CID 122369017
methyl 2,8-dichlorooctanoate
CID 175529720
3-fluorodecan-2-yl(trimethoxy)silane
CID 87402948
12-chloro-2-(1-chloropropyl)dodecanoic acid
CID 139755597
azane;4-(2-chloroethyl)tricosan-3-yl-trimethoxysilane
CID 87229515

Frequently Asked Questions

What is the IUPAC name of trimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane?
The IUPAC name of trimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane (CID 175038963) is trimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane.
What is the SMILES notation for trimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane?
The canonical SMILES for trimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane is CO[Si](OC)(OC)C(F)C(Cl)C(Cl)CCCCCCl.
What is the InChIKey of trimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane?
The InChIKey is JISUVVRVQQOYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Cl3FO3Si/c1-16-19(17-2,18-3)11(15)10(14)9(13)7-5-4-6-8-12/h9-11H,4-8H2,1-3H3.
What are the key properties of trimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane?
trimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane has a molecular weight of 355.74 g/mol, XLogP of 3.76, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane is sourced from PubChem (CID 175038963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).