3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole

C13H12FNSe — CID 153406931

IUPAC3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole
SMILESFc1ccc(-c2n[se]c3c2CCCC3)cc1
InChIInChI=1S/C13H12FNSe/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)16-15-13/h5-8H,1-4H2
InChIKeyLGCOGGTYEICSPL-UHFFFAOYSA-N
MW280.20 g/mol
LogP2.82
Rot. Bonds1

About 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole

3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole (PubChem CID 153406931) has the molecular formula C13H12FNSe and a molecular weight of 280.20 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole
PubChem CID153406931
Molecular FormulaC13H12FNSe
Molecular Weight280.20 g/mol
Exact Mass281.01
IUPAC Name3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole
SMILESFc1ccc(-c2n[se]c3c2CCCC3)cc1
InChIInChI=1S/C13H12FNSe/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)16-15-13/h5-8H,1-4H2
InChIKeyLGCOGGTYEICSPL-UHFFFAOYSA-N
XLogP2.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
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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Related Compounds

5-(4-Fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole
CID 12969843
3-Phenyl-1,2-benzoisoselenazole
CID 621129
3-Methyl-1,2-benzoselenazole
CID 21826482
1,2,5-Selenadiazole, 3,4-diphenyl-
CID 602988
3-Ethyl-1,2-benzoselenazole
CID 11127530
4,5-Diphenyl-1,2,3-selenadiazole
CID 11161930
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-Bis(4-fluorophenyl)-1,2,5-thiadiazole
CID 165176009
3,5-Diphenyl-4-(trifluoromethyl)-1,2-selenazole
CID 175493038

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole?
The IUPAC name of 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole (CID 153406931) is 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole.
What is the SMILES notation for 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole?
The canonical SMILES for 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole is Fc1ccc(-c2n[se]c3c2CCCC3)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole?
The InChIKey is LGCOGGTYEICSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNSe/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)16-15-13/h5-8H,1-4H2.
What are the key properties of 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole?
3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole has a molecular weight of 280.20 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-fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole is sourced from PubChem (CID 153406931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).