3-[4-(trifluoromethyl)phenyl]-1,2-selenazole

C10H6F3NSe — CID 175333276

IUPAC3-[4-(trifluoromethyl)phenyl]-1,2-selenazole
SMILESFC(F)(F)c1ccc(-c2cc[se]n2)cc1
InChIInChI=1S/C10H6F3NSe/c11-10(12,13)8-3-1-7(2-4-8)9-5-6-15-14-9/h1-6H
InChIKeyQOBLNGZTTCHTTI-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.82
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]-1,2-selenazole

3-[4-(trifluoromethyl)phenyl]-1,2-selenazole (PubChem CID 175333276) has the molecular formula C10H6F3NSe and a molecular weight of 276.12 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]-1,2-selenazole.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]-1,2-selenazole
PubChem CID175333276
Molecular FormulaC10H6F3NSe
Molecular Weight276.12 g/mol
Exact Mass276.96
IUPAC Name3-[4-(trifluoromethyl)phenyl]-1,2-selenazole
SMILESFC(F)(F)c1ccc(-c2cc[se]n2)cc1
InChIInChI=1S/C10H6F3NSe/c11-10(12,13)8-3-1-7(2-4-8)9-5-6-15-14-9/h1-6H
InChIKeyQOBLNGZTTCHTTI-UHFFFAOYSA-N
XLogP2.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-[4-(trifluoromethyl)phenyl]-1,2-selenazole?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1,2-selenazole (CID 175333276) is 3-[4-(trifluoromethyl)phenyl]-1,2-selenazole.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]-1,2-selenazole?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]-1,2-selenazole is FC(F)(F)c1ccc(-c2cc[se]n2)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]-1,2-selenazole?
The InChIKey is QOBLNGZTTCHTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NSe/c11-10(12,13)8-3-1-7(2-4-8)9-5-6-15-14-9/h1-6H.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]-1,2-selenazole?
3-[4-(trifluoromethyl)phenyl]-1,2-selenazole has a molecular weight of 276.12 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]-1,2-selenazole is sourced from PubChem (CID 175333276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).