5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole

C10H5F4NSe — CID 12969843

IUPAC5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole
SMILESFc1ccc(-c2cc(C(F)(F)F)n[se]2)cc1
InChIInChI=1S/C10H5F4NSe/c11-7-3-1-6(2-4-7)8-5-9(15-16-8)10(12,13)14/h1-5H
InChIKeyMRMVEHIXTFAUMA-UHFFFAOYSA-N
MW294.11 g/mol
LogP2.96
Rot. Bonds1

About 5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole

5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole (PubChem CID 12969843) has the molecular formula C10H5F4NSe and a molecular weight of 294.11 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole
PubChem CID12969843
Molecular FormulaC10H5F4NSe
Molecular Weight294.11 g/mol
Exact Mass294.95
IUPAC Name5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole
SMILESFc1ccc(-c2cc(C(F)(F)F)n[se]2)cc1
InChIInChI=1S/C10H5F4NSe/c11-7-3-1-6(2-4-7)8-5-9(15-16-8)10(12,13)14/h1-5H
InChIKeyMRMVEHIXTFAUMA-UHFFFAOYSA-N
XLogP2.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Fluorophenyl)-1,2,3-selenadiazole
CID 4415272
Jhucsmoyevmgck-uhfffaoysa-
CID 21630768
3-(4-Fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole
CID 153406931
3-(4-Fluorophenyl)-5-phenyl-1,2-selenazole
CID 155679821
3-Phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-selenazole
CID 155679823
5-(4-Fluorophenyl)-3-phenyl-1,2-selenazole
CID 155679824
5-Phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-selenazole
CID 155679843
3-[4-(Trifluoromethyl)phenyl]-1,2-selenazole
CID 175333276
3,5-Diphenyl-4-(trifluoromethyl)-1,2-selenazole
CID 175493038
5-Butyl-3-phenyl-4-(trifluoromethyl)-1,2-selenazole
CID 175493048
3-Cyclohexyl-5-phenyl-4-(trifluoromethyl)-1,2-selenazole
CID 175493052
3-Methyl-5-phenyl-1,2-tellurazole
CID 13159602

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole (CID 12969843) is 5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole is Fc1ccc(-c2cc(C(F)(F)F)n[se]2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole?
The InChIKey is MRMVEHIXTFAUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4NSe/c11-7-3-1-6(2-4-7)8-5-9(15-16-8)10(12,13)14/h1-5H.
What are the key properties of 5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole?
5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole has a molecular weight of 294.11 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole is sourced from PubChem (CID 12969843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).