1-(3-chloro-2-fluorophenyl)ethenoxy-triethylsilane

C14H20ClFOSi — CID 172563131

IUPAC1-(3-chloro-2-fluorophenyl)ethenoxy-triethylsilane
SMILESC=C(O[Si](CC)(CC)CC)c1cccc(Cl)c1F
InChIInChI=1S/C14H20ClFOSi/c1-5-18(6-2,7-3)17-11(4)12-9-8-10-13(15)14(12)16/h8-10H,4-7H2,1-3H3
InChIKeyPABOXJJNGKFLON-UHFFFAOYSA-N
MW286.85 g/mol
LogP5.47
Rot. Bonds6

About 1-(3-chloro-2-fluorophenyl)ethenoxy-triethylsilane

1-(3-chloro-2-fluorophenyl)ethenoxy-triethylsilane (PubChem CID 172563131) has the molecular formula C14H20ClFOSi and a molecular weight of 286.85 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)ethenoxy-triethylsilane.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)ethenoxy-triethylsilane
PubChem CID172563131
Molecular FormulaC14H20ClFOSi
Molecular Weight286.85 g/mol
Exact Mass286.10
IUPAC Name1-(3-chloro-2-fluorophenyl)ethenoxy-triethylsilane
SMILESC=C(O[Si](CC)(CC)CC)c1cccc(Cl)c1F
InChIInChI=1S/C14H20ClFOSi/c1-5-18(6-2,7-3)17-11(4)12-9-8-10-13(15)14(12)16/h8-10H,4-7H2,1-3H3
InChIKeyPABOXJJNGKFLON-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.85
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)ethenoxy-triethylsilane?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)ethenoxy-triethylsilane (CID 172563131) is 1-(3-chloro-2-fluorophenyl)ethenoxy-triethylsilane.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)ethenoxy-triethylsilane?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)ethenoxy-triethylsilane is C=C(O[Si](CC)(CC)CC)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)ethenoxy-triethylsilane?
The InChIKey is PABOXJJNGKFLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFOSi/c1-5-18(6-2,7-3)17-11(4)12-9-8-10-13(15)14(12)16/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)ethenoxy-triethylsilane?
1-(3-chloro-2-fluorophenyl)ethenoxy-triethylsilane has a molecular weight of 286.85 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)ethenoxy-triethylsilane is sourced from PubChem (CID 172563131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).