dichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane

C11H12Cl2F12OSi — CID 141130012

IUPACdichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane
SMILESC[Si](Cl)(Cl)CCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C11H12Cl2F12OSi/c1-27(12,13)4-2-3-26-11(24,25)10(22,23)9(20,21)8(18,19)6(14)5-7(15,16)17/h6H,2-5H2,1H3
InChIKeyUBZOQXPLZOVLPA-UHFFFAOYSA-N
MW487.18 g/mol
LogP6.73
Rot. Bonds10

About dichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane

dichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane (PubChem CID 141130012) has the molecular formula C11H12Cl2F12OSi and a molecular weight of 487.18 g/mol. Its IUPAC name is dichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane.

Molecular Properties

Compound Namedichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane
PubChem CID141130012
Molecular FormulaC11H12Cl2F12OSi
Molecular Weight487.18 g/mol
Exact Mass485.98
IUPAC Namedichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane
SMILESC[Si](Cl)(Cl)CCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C11H12Cl2F12OSi/c1-27(12,13)4-2-3-26-11(24,25)10(22,23)9(20,21)8(18,19)6(14)5-7(15,16)17/h6H,2-5H2,1H3
InChIKeyUBZOQXPLZOVLPA-UHFFFAOYSA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.18
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 dichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane?
The IUPAC name of dichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane (CID 141130012) is dichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane.
What is the SMILES notation for dichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane?
The canonical SMILES for dichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane is C[Si](Cl)(Cl)CCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F.
What is the InChIKey of dichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane?
The InChIKey is UBZOQXPLZOVLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2F12OSi/c1-27(12,13)4-2-3-26-11(24,25)10(22,23)9(20,21)8(18,19)6(14)5-7(15,16)17/h6H,2-5H2,1H3.
What are the key properties of dichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane?
dichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane has a molecular weight of 487.18 g/mol, XLogP of 6.73, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane is sourced from PubChem (CID 141130012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).