chloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane

C13H19ClFIOSi — CID 90259874

IUPACchloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane
SMILESCC[Si](CC)(CCl)COc1c(C)cc(F)cc1I
InChIInChI=1S/C13H19ClFIOSi/c1-4-18(5-2,8-14)9-17-13-10(3)6-11(15)7-12(13)16/h6-7H,4-5,8-9H2,1-3H3
InChIKeySAKAHJNMIBLWFI-UHFFFAOYSA-N
MW400.74 g/mol
LogP4.92
Rot. Bonds6

About chloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane

chloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane (PubChem CID 90259874) has the molecular formula C13H19ClFIOSi and a molecular weight of 400.74 g/mol. Its IUPAC name is chloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane.

Molecular Properties

Compound Namechloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane
PubChem CID90259874
Molecular FormulaC13H19ClFIOSi
Molecular Weight400.74 g/mol
Exact Mass399.99
IUPAC Namechloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane
SMILESCC[Si](CC)(CCl)COc1c(C)cc(F)cc1I
InChIInChI=1S/C13H19ClFIOSi/c1-4-18(5-2,8-14)9-17-13-10(3)6-11(15)7-12(13)16/h6-7H,4-5,8-9H2,1-3H3
InChIKeySAKAHJNMIBLWFI-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.74
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane?
The IUPAC name of chloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane (CID 90259874) is chloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane.
What is the SMILES notation for chloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane?
The canonical SMILES for chloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane is CC[Si](CC)(CCl)COc1c(C)cc(F)cc1I.
What is the InChIKey of chloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane?
The InChIKey is SAKAHJNMIBLWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFIOSi/c1-4-18(5-2,8-14)9-17-13-10(3)6-11(15)7-12(13)16/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of chloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane?
chloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane has a molecular weight of 400.74 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane is sourced from PubChem (CID 90259874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).