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

C14H14F3NSe — CID 175493048

IUPAC5-butyl-3-phenyl-4-(trifluoromethyl)-1,2-selenazole
SMILESCCCCc1[se]nc(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C14H14F3NSe/c1-2-3-9-11-12(14(15,16)17)13(18-19-11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyRQXHLAFQQPQPFZ-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.17
Rot. Bonds4

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

5-butyl-3-phenyl-4-(trifluoromethyl)-1,2-selenazole (PubChem CID 175493048) has the molecular formula C14H14F3NSe and a molecular weight of 332.23 g/mol. Its IUPAC name is 5-butyl-3-phenyl-4-(trifluoromethyl)-1,2-selenazole.

Molecular Properties

Compound Name5-butyl-3-phenyl-4-(trifluoromethyl)-1,2-selenazole
PubChem CID175493048
Molecular FormulaC14H14F3NSe
Molecular Weight332.23 g/mol
Exact Mass333.02
IUPAC Name5-butyl-3-phenyl-4-(trifluoromethyl)-1,2-selenazole
SMILESCCCCc1[se]nc(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C14H14F3NSe/c1-2-3-9-11-12(14(15,16)17)13(18-19-11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyRQXHLAFQQPQPFZ-UHFFFAOYSA-N
XLogP4.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.17
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 5-butyl-3-phenyl-4-(trifluoromethyl)-1,2-selenazole?
The IUPAC name of 5-butyl-3-phenyl-4-(trifluoromethyl)-1,2-selenazole (CID 175493048) is 5-butyl-3-phenyl-4-(trifluoromethyl)-1,2-selenazole.
What is the SMILES notation for 5-butyl-3-phenyl-4-(trifluoromethyl)-1,2-selenazole?
The canonical SMILES for 5-butyl-3-phenyl-4-(trifluoromethyl)-1,2-selenazole is CCCCc1[se]nc(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 5-butyl-3-phenyl-4-(trifluoromethyl)-1,2-selenazole?
The InChIKey is RQXHLAFQQPQPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NSe/c1-2-3-9-11-12(14(15,16)17)13(18-19-11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3.
What are the key properties of 5-butyl-3-phenyl-4-(trifluoromethyl)-1,2-selenazole?
5-butyl-3-phenyl-4-(trifluoromethyl)-1,2-selenazole has a molecular weight of 332.23 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-phenyl-4-(trifluoromethyl)-1,2-selenazole is sourced from PubChem (CID 175493048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).