1-(3-chloro-2-fluorophenyl)-N-(trimethylsilylmethyl)methanimine

C11H15ClFNSi — CID 67336427

IUPAC1-(3-chloro-2-fluorophenyl)-N-(trimethylsilylmethyl)methanimine
SMILESC[Si](C)(C)CN=Cc1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNSi/c1-15(2,3)8-14-7-9-5-4-6-10(12)11(9)13/h4-7H,8H2,1-3H3
InChIKeyQPONICBMMKEGFF-UHFFFAOYSA-N
MW243.79 g/mol
LogP3.78
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-N-(trimethylsilylmethyl)methanimine

1-(3-chloro-2-fluorophenyl)-N-(trimethylsilylmethyl)methanimine (PubChem CID 67336427) has the molecular formula C11H15ClFNSi and a molecular weight of 243.79 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-(trimethylsilylmethyl)methanimine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-(trimethylsilylmethyl)methanimine
PubChem CID67336427
Molecular FormulaC11H15ClFNSi
Molecular Weight243.79 g/mol
Exact Mass243.06
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-(trimethylsilylmethyl)methanimine
SMILESC[Si](C)(C)CN=Cc1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNSi/c1-15(2,3)8-14-7-9-5-4-6-10(12)11(9)13/h4-7H,8H2,1-3H3
InChIKeyQPONICBMMKEGFF-UHFFFAOYSA-N
XLogP3.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.79
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-(trimethylsilylmethyl)methanimine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-(trimethylsilylmethyl)methanimine (CID 67336427) is 1-(3-chloro-2-fluorophenyl)-N-(trimethylsilylmethyl)methanimine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-(trimethylsilylmethyl)methanimine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-(trimethylsilylmethyl)methanimine is C[Si](C)(C)CN=Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-(trimethylsilylmethyl)methanimine?
The InChIKey is QPONICBMMKEGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNSi/c1-15(2,3)8-14-7-9-5-4-6-10(12)11(9)13/h4-7H,8H2,1-3H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-(trimethylsilylmethyl)methanimine?
1-(3-chloro-2-fluorophenyl)-N-(trimethylsilylmethyl)methanimine has a molecular weight of 243.79 g/mol, XLogP of 3.78, 3 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)-N-(trimethylsilylmethyl)methanimine is sourced from PubChem (CID 67336427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).