2-(fluoromethyl)benzeneselenolate

C7H6FSe- — CID 101158997

IUPAC2-(fluoromethyl)benzeneselenolate
SMILESFCc1ccccc1[Se-]
InChIInChI=1S/C7H7FSe/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5H2/p-1
InChIKeyHSXOQHPIHQVWRX-UHFFFAOYSA-M
MW188.08 g/mol
LogP0.95
Rot. Bonds1

About 2-(fluoromethyl)benzeneselenolate

2-(fluoromethyl)benzeneselenolate (PubChem CID 101158997) has the molecular formula C7H6FSe- and a molecular weight of 188.08 g/mol. Its IUPAC name is 2-(fluoromethyl)benzeneselenolate.

Molecular Properties

Compound Name2-(fluoromethyl)benzeneselenolate
PubChem CID101158997
Molecular FormulaC7H6FSe-
Molecular Weight188.08 g/mol
Exact Mass188.96
IUPAC Name2-(fluoromethyl)benzeneselenolate
SMILESFCc1ccccc1[Se-]
InChIInChI=1S/C7H7FSe/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5H2/p-1
InChIKeyHSXOQHPIHQVWRX-UHFFFAOYSA-M
XLogP0.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.08
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)benzeneselenolate?
The IUPAC name of 2-(fluoromethyl)benzeneselenolate (CID 101158997) is 2-(fluoromethyl)benzeneselenolate.
What is the SMILES notation for 2-(fluoromethyl)benzeneselenolate?
The canonical SMILES for 2-(fluoromethyl)benzeneselenolate is FCc1ccccc1[Se-].
What is the InChIKey of 2-(fluoromethyl)benzeneselenolate?
The InChIKey is HSXOQHPIHQVWRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7FSe/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5H2/p-1.
What are the key properties of 2-(fluoromethyl)benzeneselenolate?
2-(fluoromethyl)benzeneselenolate has a molecular weight of 188.08 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)benzeneselenolate is sourced from PubChem (CID 101158997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).