(2,6-difluoro-3-iodo-5-methylphenyl)-trimethylsilane

C10H13F2ISi — CID 171368100

IUPAC(2,6-difluoro-3-iodo-5-methylphenyl)-trimethylsilane
SMILESCc1cc(I)c(F)c([Si](C)(C)C)c1F
InChIInChI=1S/C10H13F2ISi/c1-6-5-7(13)9(12)10(8(6)11)14(2,3)4/h5H,1-4H3
InChIKeyHHQZLGJHDRCNTD-UHFFFAOYSA-N
MW326.20 g/mol
LogP3.42
Rot. Bonds1

About (2,6-difluoro-3-iodo-5-methylphenyl)-trimethylsilane

(2,6-difluoro-3-iodo-5-methylphenyl)-trimethylsilane (PubChem CID 171368100) has the molecular formula C10H13F2ISi and a molecular weight of 326.20 g/mol. Its IUPAC name is (2,6-difluoro-3-iodo-5-methylphenyl)-trimethylsilane.

Molecular Properties

Compound Name(2,6-difluoro-3-iodo-5-methylphenyl)-trimethylsilane
PubChem CID171368100
Molecular FormulaC10H13F2ISi
Molecular Weight326.20 g/mol
Exact Mass325.98
IUPAC Name(2,6-difluoro-3-iodo-5-methylphenyl)-trimethylsilane
SMILESCc1cc(I)c(F)c([Si](C)(C)C)c1F
InChIInChI=1S/C10H13F2ISi/c1-6-5-7(13)9(12)10(8(6)11)14(2,3)4/h5H,1-4H3
InChIKeyHHQZLGJHDRCNTD-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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 (2,6-difluoro-3-iodo-5-methylphenyl)-trimethylsilane?
The IUPAC name of (2,6-difluoro-3-iodo-5-methylphenyl)-trimethylsilane (CID 171368100) is (2,6-difluoro-3-iodo-5-methylphenyl)-trimethylsilane.
What is the SMILES notation for (2,6-difluoro-3-iodo-5-methylphenyl)-trimethylsilane?
The canonical SMILES for (2,6-difluoro-3-iodo-5-methylphenyl)-trimethylsilane is Cc1cc(I)c(F)c([Si](C)(C)C)c1F.
What is the InChIKey of (2,6-difluoro-3-iodo-5-methylphenyl)-trimethylsilane?
The InChIKey is HHQZLGJHDRCNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2ISi/c1-6-5-7(13)9(12)10(8(6)11)14(2,3)4/h5H,1-4H3.
What are the key properties of (2,6-difluoro-3-iodo-5-methylphenyl)-trimethylsilane?
(2,6-difluoro-3-iodo-5-methylphenyl)-trimethylsilane has a molecular weight of 326.20 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-iodo-5-methylphenyl)-trimethylsilane is sourced from PubChem (CID 171368100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).