3-cyclohexyl-5-phenyl-4-(trifluoromethyl)-1,2-selenazole

C16H16F3NSe — CID 175493052

IUPAC3-cyclohexyl-5-phenyl-4-(trifluoromethyl)-1,2-selenazole
SMILESFC(F)(F)c1c(C2CCCCC2)n[se]c1-c1ccccc1
InChIInChI=1S/C16H16F3NSe/c17-16(18,19)13-14(11-7-3-1-4-8-11)20-21-15(13)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2
InChIKeyFAOOQCKDHHGUOU-UHFFFAOYSA-N
MW358.27 g/mol
LogP4.87
Rot. Bonds2

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

3-cyclohexyl-5-phenyl-4-(trifluoromethyl)-1,2-selenazole (PubChem CID 175493052) has the molecular formula C16H16F3NSe and a molecular weight of 358.27 g/mol. Its IUPAC name is 3-cyclohexyl-5-phenyl-4-(trifluoromethyl)-1,2-selenazole.

Molecular Properties

Compound Name3-cyclohexyl-5-phenyl-4-(trifluoromethyl)-1,2-selenazole
PubChem CID175493052
Molecular FormulaC16H16F3NSe
Molecular Weight358.27 g/mol
Exact Mass359.04
IUPAC Name3-cyclohexyl-5-phenyl-4-(trifluoromethyl)-1,2-selenazole
SMILESFC(F)(F)c1c(C2CCCCC2)n[se]c1-c1ccccc1
InChIInChI=1S/C16H16F3NSe/c17-16(18,19)13-14(11-7-3-1-4-8-11)20-21-15(13)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2
InChIKeyFAOOQCKDHHGUOU-UHFFFAOYSA-N
XLogP4.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 54.87
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-cyclohexyl-5-phenyl-4-(trifluoromethyl)-1,2-selenazole?
The IUPAC name of 3-cyclohexyl-5-phenyl-4-(trifluoromethyl)-1,2-selenazole (CID 175493052) is 3-cyclohexyl-5-phenyl-4-(trifluoromethyl)-1,2-selenazole.
What is the SMILES notation for 3-cyclohexyl-5-phenyl-4-(trifluoromethyl)-1,2-selenazole?
The canonical SMILES for 3-cyclohexyl-5-phenyl-4-(trifluoromethyl)-1,2-selenazole is FC(F)(F)c1c(C2CCCCC2)n[se]c1-c1ccccc1.
What is the InChIKey of 3-cyclohexyl-5-phenyl-4-(trifluoromethyl)-1,2-selenazole?
The InChIKey is FAOOQCKDHHGUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NSe/c17-16(18,19)13-14(11-7-3-1-4-8-11)20-21-15(13)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2.
What are the key properties of 3-cyclohexyl-5-phenyl-4-(trifluoromethyl)-1,2-selenazole?
3-cyclohexyl-5-phenyl-4-(trifluoromethyl)-1,2-selenazole has a molecular weight of 358.27 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-phenyl-4-(trifluoromethyl)-1,2-selenazole is sourced from PubChem (CID 175493052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).