chloro-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-diethoxysilane

C10H10ClF13O2Si — CID 23523519

IUPACchloro-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-diethoxysilane
SMILESCCO[Si](Cl)(OCC)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10ClF13O2Si/c1-3-25-27(11,26-4-2)5(8(16,17)18,9(19,20)21)6(12,13)7(14,15)10(22,23)24/h3-4H2,1-2H3
InChIKeyXJNJMTVTBACQAD-UHFFFAOYSA-N
MW472.70 g/mol
LogP5.93
Rot. Bonds7

About chloro-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-diethoxysilane

chloro-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-diethoxysilane (PubChem CID 23523519) has the molecular formula C10H10ClF13O2Si and a molecular weight of 472.70 g/mol. Its IUPAC name is chloro-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-diethoxysilane.

Molecular Properties

Compound Namechloro-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-diethoxysilane
PubChem CID23523519
Molecular FormulaC10H10ClF13O2Si
Molecular Weight472.70 g/mol
Exact Mass471.99
IUPAC Namechloro-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-diethoxysilane
SMILESCCO[Si](Cl)(OCC)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10ClF13O2Si/c1-3-25-27(11,26-4-2)5(8(16,17)18,9(19,20)21)6(12,13)7(14,15)10(22,23)24/h3-4H2,1-2H3
InChIKeyXJNJMTVTBACQAD-UHFFFAOYSA-N
XLogP5.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.70
LogP ≤ 55.93
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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Frequently Asked Questions

What is the IUPAC name of chloro-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-diethoxysilane?
The IUPAC name of chloro-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-diethoxysilane (CID 23523519) is chloro-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-diethoxysilane.
What is the SMILES notation for chloro-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-diethoxysilane?
The canonical SMILES for chloro-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-diethoxysilane is CCO[Si](Cl)(OCC)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of chloro-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-diethoxysilane?
The InChIKey is XJNJMTVTBACQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF13O2Si/c1-3-25-27(11,26-4-2)5(8(16,17)18,9(19,20)21)6(12,13)7(14,15)10(22,23)24/h3-4H2,1-2H3.
What are the key properties of chloro-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-diethoxysilane?
chloro-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-diethoxysilane has a molecular weight of 472.70 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-diethoxysilane is sourced from PubChem (CID 23523519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).